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#37628 - 08/23/19 01:20 AM I don't know parameter in step3_nlipids_upper&lower.prm
sohyeon Online   content
Forum Member

Registered: 08/21/19
Posts: 9
HI all,

I'm beginner charmm program.

I generated a POPC only with CHARMM-GUI membrane builder and downloaded the setup files.

Now I am trying to understand the procedure to modify the input files.
As first step, charmm -i step3_packing.inp
but it occurs error, because I think parameters not setting.

I don't know what "step3_nlipids_upper.prm"&"step3_nlipids_lower.prm" files meaning and how to set it up.
Could you teach me?


INPUT STREAM SWITCHING TO UNIT 99
RDTITL> SET BOXTYPE = RECT
RDTITL> No title read.
Parameter: IN1 <- ""

CHARMM> SET BOXTYPE = RECT
Parameter: BOXTYPE <- "RECT"

CHARMM> SET XTLTYPE = TETRAGONAL
Parameter: XTLTYPE <- "TETRAGONAL"

CHARMM> SET A = 52.2685374
Parameter: A <- "52.2685374"

CHARMM> SET B = 52.2685374
Parameter: B <- "52.2685374"

CHARMM> SET C = 85
Parameter: C <- "85"

CHARMM> SET ALPHA = 90.0
Parameter: ALPHA <- "90.0"

CHARMM> SET BETA = 90.0
Parameter: BETA <- "90.0"

CHARMM> SET GAMMA = 90.0
Parameter: GAMMA <- "90.0"

CHARMM> SET ZCEN = 0
Parameter: ZCEN <- "0"

CHARMM> SET NLIPTOP = 40
Parameter: NLIPTOP <- "40"

CHARMM> SET NLIPBOT = 40
Parameter: NLIPBOT <- "40"

CHARMM> SET WBOXZ = 22.5
Parameter: WBOXZ <- "22.5"

CHARMM> SET WATBOXZ = 22.5
Parameter: WATBOXZ <- "22.5"

CHARMM> SET NCHARGE = 0
Parameter: NCHARGE <- "0"

VCLOSE: Closing unit 99 with status "KEEP"

RETURNING TO INPUT STREAM 5

CHARMM> stream step3_nlipids_upper.prm
VOPEN> Attempting to open::step3_nlipids_upper.prm::
OPNLGU> Unit 99 opened for READONLY access to step3_nlipids_upper.prm

INPUT STREAM SWITCHING TO UNIT 99
RDTITL> SET NCHL1TOP = 0
RDTITL> No title read.
Parameter: IN1 <- ""

CHARMM> set nchl1top = 0
Parameter: NCHL1TOP <- "0"

CHARMM> set nergtop = 0
Parameter: NERGTOP <- "0"

CHARMM> set nsitotop = 0
Parameter: NSITOTOP <- "0"

CHARMM> set nstigtop = 0
Parameter: NSTIGTOP <- "0"

CHARMM> set nchsdtop = 0
Parameter: NCHSDTOP <- "0"

CHARMM> set nchsptop = 0
Parameter: NCHSPTOP <- "0"

CHARMM> set ndlpatop = 0
Parameter: NDLPATOP <- "0"

CHARMM> set ndmpatop = 0
Parameter: NDMPATOP <- "0"

CHARMM> set ndppatop = 0
Parameter: NDPPATOP <- "0"

CHARMM> set ndspatop = 0
Parameter: NDSPATOP <- "0"

CHARMM> set npopatop = 0
Parameter: NPOPATOP <- "0"

CHARMM> set nplpatop = 0
Parameter: NPLPATOP <- "0"

CHARMM> set nsopatop = 0
Parameter: NSOPATOP <- "0"

CHARMM> set nslpatop = 0
Parameter: NSLPATOP <- "0"

CHARMM> set ndypatop = 0
Parameter: NDYPATOP <- "0"

CHARMM> set nyopatop = 0
Parameter: NYOPATOP <- "0"

CHARMM> set ndopatop = 0
Parameter: NDOPATOP <- "0"

CHARMM> set ndgpatop = 0
Parameter: NDGPATOP <- "0"

CHARMM> set ndepatop = 0
Parameter: NDEPATOP <- "0"

CHARMM> set ndnpatop = 0
Parameter: NDNPATOP <- "0"

CHARMM> set nllpatop = 0
Parameter: NLLPATOP <- "0"

CHARMM> set nddpctop = 0
Parameter: NDDPCTOP <- "0"

CHARMM> set ndcpctop = 0
Parameter: NDCPCTOP <- "0"

CHARMM> set ndlpctop = 0
Parameter: NDLPCTOP <- "0"

CHARMM> set ndmpctop = 0
Parameter: NDMPCTOP <- "0"

CHARMM> set ndppctop = 0
Parameter: NDPPCTOP <- "0"

CHARMM> set ndspctop = 0
Parameter: NDSPCTOP <- "0"

CHARMM> set npopctop = 40
Parameter: NPOPCTOP <- "40"

CHARMM> set nplpctop = 0
Parameter: NPLPCTOP <- "0"

CHARMM> set npdopctop = 0
Parameter: NPDOPCTOP <- "0"

CHARMM> set nsopctop = 0
Parameter: NSOPCTOP <- "0"

CHARMM> set nslpctop = 0
Parameter: NSLPCTOP <- "0"

CHARMM> set ndypctop = 0
Parameter: NDYPCTOP <- "0"

CHARMM> set nyopctop = 0
Parameter: NYOPCTOP <- "0"

CHARMM> set ndopctop = 0
Parameter: NDOPCTOP <- "0"

CHARMM> set ndupctop = 0
Parameter: NDUPCTOP <- "0"

CHARMM> set ndgpctop = 0
Parameter: NDGPCTOP <- "0"

CHARMM> set ndepctop = 0
Parameter: NDEPCTOP <- "0"

CHARMM> set nddopctop = 0
Parameter: NDDOPCTOP <- "0"

CHARMM> set ndnpctop = 0
Parameter: NDNPCTOP <- "0"

CHARMM> set ndlipctop = 0
Parameter: NDLIPCTOP <- "0"

CHARMM> set nllpctop = 0
Parameter: NLLPCTOP <- "0"

CHARMM> set ndlpetop = 0
Parameter: NDLPETOP <- "0"

CHARMM> set ndmpetop = 0
Parameter: NDMPETOP <- "0"

CHARMM> set ndppetop = 0
Parameter: NDPPETOP <- "0"

CHARMM> set ndspetop = 0
Parameter: NDSPETOP <- "0"

CHARMM> set npypetop = 0
Parameter: NPYPETOP <- "0"

CHARMM> set npopetop = 0
Parameter: NPOPETOP <- "0"

CHARMM> set nplpetop = 0
Parameter: NPLPETOP <- "0"

CHARMM> set npdopetop = 0
Parameter: NPDOPETOP <- "0"

CHARMM> set nsopetop = 0
Parameter: NSOPETOP <- "0"

CHARMM> set nslpetop = 0
Parameter: NSLPETOP <- "0"

CHARMM> set ndypetop = 0
Parameter: NDYPETOP <- "0"

CHARMM> set nyopetop = 0
Parameter: NYOPETOP <- "0"

CHARMM> set noypetop = 0
Parameter: NOYPETOP <- "0"

CHARMM> set ndopetop = 0
Parameter: NDOPETOP <- "0"

CHARMM> set ndgpetop = 0
Parameter: NDGPETOP <- "0"

CHARMM> set ndepetop = 0
Parameter: NDEPETOP <- "0"

CHARMM> set nddopetop = 0
Parameter: NDDOPETOP <- "0"

CHARMM> set ndnpetop = 0
Parameter: NDNPETOP <- "0"

CHARMM> set ndlipetop = 0
Parameter: NDLIPETOP <- "0"

CHARMM> set nllpetop = 0
Parameter: NLLPETOP <- "0"

CHARMM> set ndlpgtop = 0
Parameter: NDLPGTOP <- "0"

CHARMM> set ndmpgtop = 0
Parameter: NDMPGTOP <- "0"

CHARMM> set ndppgtop = 0
Parameter: NDPPGTOP <- "0"

CHARMM> set ndspgtop = 0
Parameter: NDSPGTOP <- "0"

CHARMM> set npypgtop = 0
Parameter: NPYPGTOP <- "0"

CHARMM> set npopgtop = 0
Parameter: NPOPGTOP <- "0"

CHARMM> set nplpgtop = 0
Parameter: NPLPGTOP <- "0"

CHARMM> set nsopgtop = 0
Parameter: NSOPGTOP <- "0"

CHARMM> set nslpgtop = 0
Parameter: NSLPGTOP <- "0"

CHARMM> set ndypgtop = 0
Parameter: NDYPGTOP <- "0"

CHARMM> set ndopgtop = 0
Parameter: NDOPGTOP <- "0"

CHARMM> set ndgpgtop = 0
Parameter: NDGPGTOP <- "0"

CHARMM> set ndepgtop = 0
Parameter: NDEPGTOP <- "0"

CHARMM> set ndnpgtop = 0
Parameter: NDNPGTOP <- "0"

CHARMM> set ndlpstop = 0
Parameter: NDLPSTOP <- "0"

CHARMM> set ndmpstop = 0
Parameter: NDMPSTOP <- "0"

CHARMM> set ndppstop = 0
Parameter: NDPPSTOP <- "0"

CHARMM> set ndspstop = 0
Parameter: NDSPSTOP <- "0"

CHARMM> set npopstop = 0
Parameter: NPOPSTOP <- "0"

CHARMM> set nplpstop = 0
Parameter: NPLPSTOP <- "0"

CHARMM> set nsopstop = 0
Parameter: NSOPSTOP <- "0"

CHARMM> set nslpstop = 0
Parameter: NSLPSTOP <- "0"

CHARMM> set ndypstop = 0
Parameter: NDYPSTOP <- "0"

CHARMM> set nyopstop = 0
Parameter: NYOPSTOP <- "0"

CHARMM> set ndopstop = 0
Parameter: NDOPSTOP <- "0"

CHARMM> set ndgpstop = 0
Parameter: NDGPSTOP <- "0"

CHARMM> set ndepstop = 0
Parameter: NDEPSTOP <- "0"

CHARMM> set nddopstop = 0
Parameter: NDDOPSTOP <- "0"

CHARMM> set ndnpstop = 0
Parameter: NDNPSTOP <- "0"

CHARMM> set nllpstop = 0
Parameter: NLLPSTOP <- "0"

CHARMM> set npopp1top = 0
Parameter: NPOPP1TOP <- "0"

CHARMM> set npopp2top = 0
Parameter: NPOPP2TOP <- "0"

CHARMM> set npopp3top = 0
Parameter: NPOPP3TOP <- "0"

CHARMM> set ndopp1top = 0
Parameter: NDOPP1TOP <- "0"

CHARMM> set ndopp2top = 0
Parameter: NDOPP2TOP <- "0"

CHARMM> set ndopp3top = 0
Parameter: NDOPP3TOP <- "0"

CHARMM> set ndmpitop = 0
Parameter: NDMPITOP <- "0"

CHARMM> set ndmpi13top = 0
Parameter: NDMPI13TOP <- "0"

CHARMM> set ndmpi14top = 0
Parameter: NDMPI14TOP <- "0"

CHARMM> set ndmpi15top = 0
Parameter: NDMPI15TOP <- "0"

CHARMM> set ndmpi24top = 0
Parameter: NDMPI24TOP <- "0"

CHARMM> set ndmpi25top = 0
Parameter: NDMPI25TOP <- "0"

CHARMM> set ndmpi2atop = 0
Parameter: NDMPI2ATOP <- "0"

CHARMM> set ndmpi2btop = 0
Parameter: NDMPI2BTOP <- "0"

CHARMM> set ndmpi2ctop = 0
Parameter: NDMPI2CTOP <- "0"

CHARMM> set ndmpi2dtop = 0
Parameter: NDMPI2DTOP <- "0"

CHARMM> set ndmpi33top = 0
Parameter: NDMPI33TOP <- "0"

CHARMM> set ndmpi34top = 0
Parameter: NDMPI34TOP <- "0"

CHARMM> set ndmpi35top = 0
Parameter: NDMPI35TOP <- "0"

CHARMM> set npypitop = 0
Parameter: NPYPITOP <- "0"

CHARMM> set npopitop = 0
Parameter: NPOPITOP <- "0"

CHARMM> set npopi13top = 0
Parameter: NPOPI13TOP <- "0"

CHARMM> set npopi14top = 0
Parameter: NPOPI14TOP <- "0"

CHARMM> set npopi15top = 0
Parameter: NPOPI15TOP <- "0"

CHARMM> set npopi24top = 0
Parameter: NPOPI24TOP <- "0"

CHARMM> set npopi25top = 0
Parameter: NPOPI25TOP <- "0"

CHARMM> set npopi2atop = 0
Parameter: NPOPI2ATOP <- "0"

CHARMM> set npopi2btop = 0
Parameter: NPOPI2BTOP <- "0"

CHARMM> set npopi2ctop = 0
Parameter: NPOPI2CTOP <- "0"

CHARMM> set npopi2dtop = 0
Parameter: NPOPI2DTOP <- "0"

CHARMM> set npopi33top = 0
Parameter: NPOPI33TOP <- "0"

CHARMM> set npopi34top = 0
Parameter: NPOPI34TOP <- "0"

CHARMM> set npopi35top = 0
Parameter: NPOPI35TOP <- "0"

CHARMM> set nplpitop = 0
Parameter: NPLPITOP <- "0"

CHARMM> set nplpi13top = 0
Parameter: NPLPI13TOP <- "0"

CHARMM> set nplpi14top = 0
Parameter: NPLPI14TOP <- "0"

CHARMM> set nplpi15top = 0
Parameter: NPLPI15TOP <- "0"

CHARMM> set nplpi24top = 0
Parameter: NPLPI24TOP <- "0"

CHARMM> set nplpi25top = 0
Parameter: NPLPI25TOP <- "0"

CHARMM> set nplpi2atop = 0
Parameter: NPLPI2ATOP <- "0"

CHARMM> set nplpi2btop = 0
Parameter: NPLPI2BTOP <- "0"

CHARMM> set nplpi2ctop = 0
Parameter: NPLPI2CTOP <- "0"

CHARMM> set nplpi2dtop = 0
Parameter: NPLPI2DTOP <- "0"

CHARMM> set nplpi33top = 0
Parameter: NPLPI33TOP <- "0"

CHARMM> set nplpi34top = 0
Parameter: NPLPI34TOP <- "0"

CHARMM> set nplpi35top = 0
Parameter: NPLPI35TOP <- "0"

CHARMM> set npnpitop = 0
Parameter: NPNPITOP <- "0"

CHARMM> set npnpi13top = 0
Parameter: NPNPI13TOP <- "0"

CHARMM> set npnpi14top = 0
Parameter: NPNPI14TOP <- "0"

CHARMM> set npnpi15top = 0
Parameter: NPNPI15TOP <- "0"

CHARMM> set npnpi24top = 0
Parameter: NPNPI24TOP <- "0"

CHARMM> set npnpi25top = 0
Parameter: NPNPI25TOP <- "0"

CHARMM> set npnpi2atop = 0
Parameter: NPNPI2ATOP <- "0"

CHARMM> set npnpi2btop = 0
Parameter: NPNPI2BTOP <- "0"

CHARMM> set npnpi2ctop = 0
Parameter: NPNPI2CTOP <- "0"

CHARMM> set npnpi2dtop = 0
Parameter: NPNPI2DTOP <- "0"

CHARMM> set npnpi33top = 0
Parameter: NPNPI33TOP <- "0"

CHARMM> set npnpi34top = 0
Parameter: NPNPI34TOP <- "0"

CHARMM> set npnpi35top = 0
Parameter: NPNPI35TOP <- "0"

CHARMM> set nsapitop = 0
Parameter: NSAPITOP <- "0"

CHARMM> set nsapi13top = 0
Parameter: NSAPI13TOP <- "0"

CHARMM> set nsapi14top = 0
Parameter: NSAPI14TOP <- "0"

CHARMM> set nsapi15top = 0
Parameter: NSAPI15TOP <- "0"

CHARMM> set nsapi24top = 0
Parameter: NSAPI24TOP <- "0"

CHARMM> set nsapi25top = 0
Parameter: NSAPI25TOP <- "0"

CHARMM> set nsapi2atop = 0
Parameter: NSAPI2ATOP <- "0"

CHARMM> set nsapi2btop = 0
Parameter: NSAPI2BTOP <- "0"

CHARMM> set nsapi2ctop = 0
Parameter: NSAPI2CTOP <- "0"

CHARMM> set nsapi2dtop = 0
Parameter: NSAPI2DTOP <- "0"

CHARMM> set nsapi33top = 0
Parameter: NSAPI33TOP <- "0"

CHARMM> set nsapi34top = 0
Parameter: NSAPI34TOP <- "0"

CHARMM> set nsapi35top = 0
Parameter: NSAPI35TOP <- "0"

CHARMM> set ndlipitop = 0
Parameter: NDLIPITOP <- "0"

CHARMM> set ntmcl1top = 0
Parameter: NTMCL1TOP <- "0"

CHARMM> set ntmcl2top = 0
Parameter: NTMCL2TOP <- "0"

CHARMM> set npmcl1top = 0
Parameter: NPMCL1TOP <- "0"

CHARMM> set npmcl2top = 0
Parameter: NPMCL2TOP <- "0"

CHARMM> set npvcl2top = 0
Parameter: NPVCL2TOP <- "0"

CHARMM> set ntycl1top = 0
Parameter: NTYCL1TOP <- "0"

CHARMM> set ntycl2top = 0
Parameter: NTYCL2TOP <- "0"

CHARMM> set ntocl1top = 0
Parameter: NTOCL1TOP <- "0"

CHARMM> set ntocl2top = 0
Parameter: NTOCL2TOP <- "0"

CHARMM> set nloacl1top = 0
Parameter: NLOACL1TOP <- "0"

CHARMM> set nloacl2top = 0
Parameter: NLOACL2TOP <- "0"

CHARMM> set nloccl1top = 0
Parameter: NLOCCL1TOP <- "0"

CHARMM> set nloccl2top = 0
Parameter: NLOCCL2TOP <- "0"

CHARMM> set ntlcl1top = 0
Parameter: NTLCL1TOP <- "0"

CHARMM> set ntlcl2top = 0
Parameter: NTLCL2TOP <- "0"

CHARMM> set nlnccl1top = 0
Parameter: NLNCCL1TOP <- "0"

CHARMM> set nlnccl2top = 0
Parameter: NLNCCL2TOP <- "0"

CHARMM> set nlnacl1top = 0
Parameter: NLNACL1TOP <- "0"

CHARMM> set nlnacl2top = 0
Parameter: NLNACL2TOP <- "0"

CHARMM> set nlndcl1top = 0
Parameter: NLNDCL1TOP <- "0"

CHARMM> set nlndcl2top = 0
Parameter: NLNDCL2TOP <- "0"

CHARMM> set nlnbcl1top = 0
Parameter: NLNBCL1TOP <- "0"

CHARMM> set nlnbcl2top = 0
Parameter: NLNBCL2TOP <- "0"

CHARMM> set nsapatop = 0
Parameter: NSAPATOP <- "0"

CHARMM> set nsapctop = 0
Parameter: NSAPCTOP <- "0"

CHARMM> set nsapetop = 0
Parameter: NSAPETOP <- "0"

CHARMM> set nsapgtop = 0
Parameter: NSAPGTOP <- "0"

CHARMM> set nsapstop = 0
Parameter: NSAPSTOP <- "0"

CHARMM> set nsdpatop = 0
Parameter: NSDPATOP <- "0"

CHARMM> set nsdpctop = 0
Parameter: NSDPCTOP <- "0"

CHARMM> set nsdpetop = 0
Parameter: NSDPETOP <- "0"

CHARMM> set nsdpgtop = 0
Parameter: NSDPGTOP <- "0"

CHARMM> set nsdpstop = 0
Parameter: NSDPSTOP <- "0"

CHARMM> set ndapatop = 0
Parameter: NDAPATOP <- "0"

CHARMM> set ndapctop = 0
Parameter: NDAPCTOP <- "0"

CHARMM> set ndapetop = 0
Parameter: NDAPETOP <- "0"

CHARMM> set ndapgtop = 0
Parameter: NDAPGTOP <- "0"

CHARMM> set ndapstop = 0
Parameter: NDAPSTOP <- "0"

CHARMM> set ntspctop = 0
Parameter: NTSPCTOP <- "0"

CHARMM> set npsmtop = 0
Parameter: NPSMTOP <- "0"

CHARMM> set nssmtop = 0
Parameter: NSSMTOP <- "0"

CHARMM> set nasmtop = 0
Parameter: NASMTOP <- "0"

CHARMM> set nbsmtop = 0
Parameter: NBSMTOP <- "0"

CHARMM> set n23smtop = 0
Parameter: N23SMTOP <- "0"

CHARMM> set nlsmtop = 0
Parameter: NLSMTOP <- "0"

CHARMM> set nosmtop = 0
Parameter: NOSMTOP <- "0"

CHARMM> set nnsmtop = 0
Parameter: NNSMTOP <- "0"

CHARMM> set ncer160top = 0
Parameter: NCER160TOP <- "0"

CHARMM> set ncer180top = 0
Parameter: NCER180TOP <- "0"

CHARMM> set ncer181top = 0
Parameter: NCER181TOP <- "0"

CHARMM> set ncer200top = 0
Parameter: NCER200TOP <- "0"

CHARMM> set ncer220top = 0
Parameter: NCER220TOP <- "0"

CHARMM> set ncer240top = 0
Parameter: NCER240TOP <- "0"

CHARMM> set ncer241top = 0
Parameter: NCER241TOP <- "0"

CHARMM> set ncer3etop = 0
Parameter: NCER3ETOP <- "0"

CHARMM> set nqmpetop = 0
Parameter: NQMPETOP <- "0"

CHARMM> set npmpetop = 0
Parameter: NPMPETOP <- "0"

CHARMM> set npmpgtop = 0
Parameter: NPMPGTOP <- "0"

CHARMM> set npppetop = 0
Parameter: NPPPETOP <- "0"

CHARMM> set npvpetop = 0
Parameter: NPVPETOP <- "0"

CHARMM> set npvpgtop = 0
Parameter: NPVPGTOP <- "0"

CHARMM> set nappctop = 0
Parameter: NAPPCTOP <- "0"

CHARMM> set nippctop = 0
Parameter: NIPPCTOP <- "0"

CHARMM> set nphpctop = 0
Parameter: NPHPCTOP <- "0"

CHARMM> set ndppgktop = 0
Parameter: NDPPGKTOP <- "0"

CHARMM> set nlautop = 0
Parameter: NLAUTOP <- "0"

CHARMM> set nmyrtop = 0
Parameter: NMYRTOP <- "0"

CHARMM> set npaltop = 0
Parameter: NPALTOP <- "0"

CHARMM> set nstetop = 0
Parameter: NSTETOP <- "0"

CHARMM> set naratop = 0
Parameter: NARATOP <- "0"

CHARMM> set nbehtop = 0
Parameter: NBEHTOP <- "0"

CHARMM> set ntritop = 0
Parameter: NTRITOP <- "0"

CHARMM> set nligntop = 0
Parameter: NLIGNTOP <- "0"

CHARMM> set nmyrotop = 0
Parameter: NMYROTOP <- "0"

CHARMM> set npalotop = 0
Parameter: NPALOTOP <- "0"

CHARMM> set nhtatop = 0
Parameter: NHTATOP <- "0"

CHARMM> set noletop = 0
Parameter: NOLETOP <- "0"

CHARMM> set nlintop = 0
Parameter: NLINTOP <- "0"

CHARMM> set nalintop = 0
Parameter: NALINTOP <- "0"

CHARMM> set nsdatop = 0
Parameter: NSDATOP <- "0"

CHARMM> set nglatop = 0
Parameter: NGLATOP <- "0"

CHARMM> set neicotop = 0
Parameter: NEICOTOP <- "0"

CHARMM> set nedatop = 0
Parameter: NEDATOP <- "0"

CHARMM> set nmeatop = 0
Parameter: NMEATOP <- "0"

CHARMM> set ndglatop = 0
Parameter: NDGLATOP <- "0"

CHARMM> set netetop = 0
Parameter: NETETOP <- "0"

CHARMM> set netatop = 0
Parameter: NETATOP <- "0"

CHARMM> set nepatop = 0
Parameter: NEPATOP <- "0"

CHARMM> set narantop = 0
Parameter: NARANTOP <- "0"

CHARMM> set nhpatop = 0
Parameter: NHPATOP <- "0"

CHARMM> set nerutop = 0
Parameter: NERUTOP <- "0"

CHARMM> set nddatop = 0
Parameter: NDDATOP <- "0"

CHARMM> set nadrtop = 0
Parameter: NADRTOP <- "0"

CHARMM> set ndpttop = 0
Parameter: NDPTTOP <- "0"

CHARMM> set ndpatop = 0
Parameter: NDPATOP <- "0"

CHARMM> set ndhatop = 0
Parameter: NDHATOP <- "0"

CHARMM> set nnertop = 0
Parameter: NNERTOP <- "0"

CHARMM> set nttatop = 0
Parameter: NTTATOP <- "0"

CHARMM> set ntpttop = 0
Parameter: NTPTTOP <- "0"

CHARMM> set ntpatop = 0
Parameter: NTPATOP <- "0"

CHARMM> set nthatop = 0
Parameter: NTHATOP <- "0"

CHARMM> set nlauptop = 0
Parameter: NLAUPTOP <- "0"

CHARMM> set nmyrptop = 0
Parameter: NMYRPTOP <- "0"

CHARMM> set npalptop = 0
Parameter: NPALPTOP <- "0"

CHARMM> set nsteptop = 0
Parameter: NSTEPTOP <- "0"

CHARMM> set naraptop = 0
Parameter: NARAPTOP <- "0"

CHARMM> set nbehptop = 0
Parameter: NBEHPTOP <- "0"

CHARMM> set ntriptop = 0
Parameter: NTRIPTOP <- "0"

CHARMM> set nlignptop = 0
Parameter: NLIGNPTOP <- "0"

CHARMM> set nmyroptop = 0
Parameter: NMYROPTOP <- "0"

CHARMM> set npaloptop = 0
Parameter: NPALOPTOP <- "0"

CHARMM> set nhtaptop = 0
Parameter: NHTAPTOP <- "0"

CHARMM> set noleptop = 0
Parameter: NOLEPTOP <- "0"

CHARMM> set nlinptop = 0
Parameter: NLINPTOP <- "0"

CHARMM> set nalinptop = 0
Parameter: NALINPTOP <- "0"

CHARMM> set nsdaptop = 0
Parameter: NSDAPTOP <- "0"

CHARMM> set nglaptop = 0
Parameter: NGLAPTOP <- "0"

CHARMM> set neicoptop = 0
Parameter: NEICOPTOP <- "0"

CHARMM> set nedaptop = 0
Parameter: NEDAPTOP <- "0"

CHARMM> set nmeaptop = 0
Parameter: NMEAPTOP <- "0"

CHARMM> set ndglaptop = 0
Parameter: NDGLAPTOP <- "0"

CHARMM> set neteptop = 0
Parameter: NETEPTOP <- "0"

CHARMM> set netaptop = 0
Parameter: NETAPTOP <- "0"

CHARMM> set nepaptop = 0
Parameter: NEPAPTOP <- "0"

CHARMM> set naranptop = 0
Parameter: NARANPTOP <- "0"

CHARMM> set nhpaptop = 0
Parameter: NHPAPTOP <- "0"

CHARMM> set neruptop = 0
Parameter: NERUPTOP <- "0"

CHARMM> set nddaptop = 0
Parameter: NDDAPTOP <- "0"

CHARMM> set nadrptop = 0
Parameter: NADRPTOP <- "0"

CHARMM> set ndptptop = 0
Parameter: NDPTPTOP <- "0"

CHARMM> set ndpaptop = 0
Parameter: NDPAPTOP <- "0"

CHARMM> set ndhaptop = 0
Parameter: NDHAPTOP <- "0"

CHARMM> set nnerptop = 0
Parameter: NNERPTOP <- "0"

CHARMM> set nttaptop = 0
Parameter: NTTAPTOP <- "0"

CHARMM> set ntptptop = 0
Parameter: NTPTPTOP <- "0"

CHARMM> set ntpaptop = 0
Parameter: NTPAPTOP <- "0"

CHARMM> set nthaptop = 0
Parameter: NTHAPTOP <- "0"

CHARMM> set nsb3-10top = 0
Parameter: NSB3-10TOP <- "0"

CHARMM> set nsb3-12top = 0
Parameter: NSB3-12TOP <- "0"

CHARMM> set nsb3-14top = 0
Parameter: NSB3-14TOP <- "0"

CHARMM> set nchapstop = 0
Parameter: NCHAPSTOP <- "0"

CHARMM> set nchapsotop = 0
Parameter: NCHAPSOTOP <- "0"

CHARMM> set nddmgtop = 0
Parameter: NDDMGTOP <- "0"

CHARMM> set ndomgtop = 0
Parameter: NDOMGTOP <- "0"

CHARMM> set nddaotop = 0
Parameter: NDDAOTOP <- "0"

CHARMM> set nudaotop = 0
Parameter: NUDAOTOP <- "0"

CHARMM> set nldaotop = 0
Parameter: NLDAOTOP <- "0"

CHARMM> set nlapaotop = 0
Parameter: NLAPAOTOP <- "0"

CHARMM> set ntripaotop = 0
Parameter: NTRIPAOTOP <- "0"

CHARMM> set nfos10top = 0
Parameter: NFOS10TOP <- "0"

CHARMM> set nfos12top = 0
Parameter: NFOS12TOP <- "0"

CHARMM> set nfos13top = 0
Parameter: NFOS13TOP <- "0"

CHARMM> set nfos14top = 0
Parameter: NFOS14TOP <- "0"

CHARMM> set nfos15top = 0
Parameter: NFOS15TOP <- "0"

CHARMM> set nfos16top = 0
Parameter: NFOS16TOP <- "0"

CHARMM> set nufos10top = 0
Parameter: NUFOS10TOP <- "0"

CHARMM> set nlpc12top = 0
Parameter: NLPC12TOP <- "0"

CHARMM> set nlpc14top = 0
Parameter: NLPC14TOP <- "0"

CHARMM> set nfois9top = 0
Parameter: NFOIS9TOP <- "0"

CHARMM> set nfois11top = 0
Parameter: NFOIS11TOP <- "0"

CHARMM> set nc6dhpctop = 0
Parameter: NC6DHPCTOP <- "0"

CHARMM> set nc7dhpctop = 0
Parameter: NC7DHPCTOP <- "0"

CHARMM> set ncyfos3top = 0
Parameter: NCYFOS3TOP <- "0"

CHARMM> set ncyfos4top = 0
Parameter: NCYFOS4TOP <- "0"

CHARMM> set ncyfos5top = 0
Parameter: NCYFOS5TOP <- "0"

CHARMM> set ncyfos6top = 0
Parameter: NCYFOS6TOP <- "0"

CHARMM> set ncyfos7top = 0
Parameter: NCYFOS7TOP <- "0"

CHARMM> set nsdstop = 0
Parameter: NSDSTOP <- "0"

CHARMM> set nlmpgtop = 0
Parameter: NLMPGTOP <- "0"

CHARMM> set nlppgtop = 0
Parameter: NLPPGTOP <- "0"

CHARMM> set nddaoptop = 0
Parameter: NDDAOPTOP <- "0"

CHARMM> set nudaoptop = 0
Parameter: NUDAOPTOP <- "0"

CHARMM> set nldaoptop = 0
Parameter: NLDAOPTOP <- "0"

CHARMM> set nlapaoptop = 0
Parameter: NLAPAOPTOP <- "0"

CHARMM> set ntrpaoptop = 0
Parameter: NTRPAOPTOP <- "0"

CHARMM> set nc6eg3top = 0
Parameter: NC6EG3TOP <- "0"

CHARMM> set nc6eg4top = 0
Parameter: NC6EG4TOP <- "0"

CHARMM> set nc6eg5top = 0
Parameter: NC6EG5TOP <- "0"

CHARMM> set nc7eg4top = 0
Parameter: NC7EG4TOP <- "0"

CHARMM> set nc7eg5top = 0
Parameter: NC7EG5TOP <- "0"

CHARMM> set nc8eg4top = 0
Parameter: NC8EG4TOP <- "0"

CHARMM> set nc8eg5top = 0
Parameter: NC8EG5TOP <- "0"

CHARMM> set nc8eg6top = 0
Parameter: NC8EG6TOP <- "0"

CHARMM> set nc10eg5top = 0
Parameter: NC10EG5TOP <- "0"

CHARMM> set nc10eg6top = 0
Parameter: NC10EG6TOP <- "0"

CHARMM> set nc10eg9top = 0
Parameter: NC10EG9TOP <- "0"

CHARMM> set nc12eg7top = 0
Parameter: NC12EG7TOP <- "0"

CHARMM> set nc12eg8top = 0
Parameter: NC12EG8TOP <- "0"

CHARMM> set nc12eg9top = 0
Parameter: NC12EG9TOP <- "0"

CHARMM> set nc12degtop = 0
Parameter: NC12DEGTOP <- "0"

CHARMM> set nc13eg8top = 0
Parameter: NC13EG8TOP <- "0"

CHARMM> set nnidp40top = 0
Parameter: NNIDP40TOP <- "0"

CHARMM> set ntx100top = 0
Parameter: NTX100TOP <- "0"

CHARMM> set ntx114top = 0
Parameter: NTX114TOP <- "0"

CHARMM> set naogtop = 0
Parameter: NAOGTOP <- "0"

CHARMM> set nbogtop = 0
Parameter: NBOGTOP <- "0"

CHARMM> set nangtop = 0
Parameter: NANGTOP <- "0"

CHARMM> set nbngtop = 0
Parameter: NBNGTOP <- "0"

CHARMM> set nadgtop = 0
Parameter: NADGTOP <- "0"

CHARMM> set nbdgtop = 0
Parameter: NBDGTOP <- "0"

CHARMM> set naddgtop = 0
Parameter: NADDGTOP <- "0"

CHARMM> set nbddgtop = 0
Parameter: NBDDGTOP <- "0"

CHARMM> set nacy3gtop = 0
Parameter: NACY3GTOP <- "0"

CHARMM> set nbcy3gtop = 0
Parameter: NBCY3GTOP <- "0"

CHARMM> set namhcgtop = 0
Parameter: NAMHCGTOP <- "0"

CHARMM> set nbmhcgtop = 0
Parameter: NBMHCGTOP <- "0"

CHARMM> set naomtop = 0
Parameter: NAOMTOP <- "0"

CHARMM> set nbomtop = 0
Parameter: NBOMTOP <- "0"

CHARMM> set nanmtop = 0
Parameter: NANMTOP <- "0"

CHARMM> set nbnmtop = 0
Parameter: NBNMTOP <- "0"

CHARMM> set nadmtop = 0
Parameter: NADMTOP <- "0"

CHARMM> set nbdmtop = 0
Parameter: NBDMTOP <- "0"

CHARMM> set naudmtop = 0
Parameter: NAUDMTOP <- "0"

CHARMM> set nbudmtop = 0
Parameter: NBUDMTOP <- "0"

CHARMM> set na2udmtop = 0
Parameter: NA2UDMTOP <- "0"

CHARMM> set nb2udmtop = 0
Parameter: NB2UDMTOP <- "0"

CHARMM> set naddmtop = 0
Parameter: NADDMTOP <- "0"

CHARMM> set nbddmtop = 0
Parameter: NBDDMTOP <- "0"

CHARMM> set nadmhmtop = 0
Parameter: NADMHMTOP <- "0"

CHARMM> set nbdmhmtop = 0
Parameter: NBDMHMTOP <- "0"

CHARMM> set nappmtop = 0
Parameter: NAPPMTOP <- "0"

CHARMM> set nbppmtop = 0
Parameter: NBPPMTOP <- "0"

CHARMM> set natmtop = 0
Parameter: NATMTOP <- "0"

CHARMM> set nbtmtop = 0
Parameter: NBTMTOP <- "0"

CHARMM> set nacy3mtop = 0
Parameter: NACY3MTOP <- "0"

CHARMM> set nbcy3mtop = 0
Parameter: NBCY3MTOP <- "0"

CHARMM> set nacy4mtop = 0
Parameter: NACY4MTOP <- "0"

CHARMM> set nbcy4mtop = 0
Parameter: NBCY4MTOP <- "0"

CHARMM> set nacy5mtop = 0
Parameter: NACY5MTOP <- "0"

CHARMM> set nbcy5mtop = 0
Parameter: NBCY5MTOP <- "0"

CHARMM> set nacy6mtop = 0
Parameter: NACY6MTOP <- "0"

CHARMM> set nbcy6mtop = 0
Parameter: NBCY6MTOP <- "0"

CHARMM> set nacy7mtop = 0
Parameter: NACY7MTOP <- "0"

CHARMM> set nbcy7mtop = 0
Parameter: NBCY7MTOP <- "0"

CHARMM> set nnhegtop = 0
Parameter: NNHEGTOP <- "0"

CHARMM> set ndhegtop = 0
Parameter: NDHEGTOP <- "0"

CHARMM> set nnmgtop = 0
Parameter: NNMGTOP <- "0"

CHARMM> set ndmgtop = 0
Parameter: NDMGTOP <- "0"

CHARMM> set nsmddtop = 0
Parameter: NSMDDTOP <- "0"

CHARMM> set nbbphgtop = 0
Parameter: NBBPHGTOP <- "0"

CHARMM> set nbbcygtop = 0
Parameter: NBBCYGTOP <- "0"

CHARMM> set nbogngtop = 0
Parameter: NBOGNGTOP <- "0"

CHARMM> set nblmngtop = 0
Parameter: NBLMNGTOP <- "0"

CHARMM> set nbdmngtop = 0
Parameter: NBDMNGTOP <- "0"

CHARMM> set nc5mngtop = 0
Parameter: NC5MNGTOP <- "0"

CHARMM> set nc6mngtop = 0
Parameter: NC6MNGTOP <- "0"

CHARMM> set nahtgtop = 0
Parameter: NAHTGTOP <- "0"

CHARMM> set nbhtgtop = 0
Parameter: NBHTGTOP <- "0"

CHARMM> set naotgtop = 0
Parameter: NAOTGTOP <- "0"

CHARMM> set nbotgtop = 0
Parameter: NBOTGTOP <- "0"

CHARMM> set naotmtop = 0
Parameter: NAOTMTOP <- "0"

CHARMM> set nbotmtop = 0
Parameter: NBOTMTOP <- "0"

CHARMM> set nantmtop = 0
Parameter: NANTMTOP <- "0"

CHARMM> set nbntmtop = 0
Parameter: NBNTMTOP <- "0"

CHARMM> set nadtmtop = 0
Parameter: NADTMTOP <- "0"

CHARMM> set nbdtmtop = 0
Parameter: NBDTMTOP <- "0"

CHARMM> set naudtmtop = 0
Parameter: NAUDTMTOP <- "0"

CHARMM> set nbudtmtop = 0
Parameter: NBUDTMTOP <- "0"

CHARMM> set naddtmtop = 0
Parameter: NADDTMTOP <- "0"

CHARMM> set nbddtmtop = 0
Parameter: NBDDTMTOP <- "0"

CHARMM> set ndhpcetop = 0
Parameter: NDHPCETOP <- "0"

CHARMM> set npopcetop = 0
Parameter: NPOPCETOP <- "0"

CHARMM> set ndopcetop = 0
Parameter: NDOPCETOP <- "0"

CHARMM> set ndmpcetop = 0
Parameter: NDMPCETOP <- "0"

CHARMM> set npopeetop = 0
Parameter: NPOPEETOP <- "0"

CHARMM> set ndopeetop = 0
Parameter: NDOPEETOP <- "0"

CHARMM> set ndppeetop = 0
Parameter: NDPPEETOP <- "0"

CHARMM> set ndmpeetop = 0
Parameter: NDMPEETOP <- "0"

CHARMM> set nbmgptop = 0
Parameter: NBMGPTOP <- "0"

VCLOSE: Closing unit 99 with status "KEEP"

RETURNING TO INPUT STREAM 5

CHARMM> stream step3_nlipids_lower.prm
VOPEN> Attempting to open::step3_nlipids_lower.prm::
OPNLGU> Unit 99 opened for READONLY access to step3_nlipids_lower.prm

INPUT STREAM SWITCHING TO UNIT 99
RDTITL> SET NCHL1BOT = 0
RDTITL> No title read.
Parameter: IN1 <- ""

CHARMM> set nchl1bot = 0
Parameter: NCHL1BOT <- "0"

CHARMM> set nergbot = 0
Parameter: NERGBOT <- "0"

CHARMM> set nsitobot = 0
Parameter: NSITOBOT <- "0"

CHARMM> set nstigbot = 0
Parameter: NSTIGBOT <- "0"

CHARMM> set nchsdbot = 0
Parameter: NCHSDBOT <- "0"

CHARMM> set nchspbot = 0
Parameter: NCHSPBOT <- "0"

CHARMM> set ndlpabot = 0
Parameter: NDLPABOT <- "0"

CHARMM> set ndmpabot = 0
Parameter: NDMPABOT <- "0"

CHARMM> set ndppabot = 0
Parameter: NDPPABOT <- "0"

CHARMM> set ndspabot = 0
Parameter: NDSPABOT <- "0"

CHARMM> set npopabot = 0
Parameter: NPOPABOT <- "0"

CHARMM> set nplpabot = 0
Parameter: NPLPABOT <- "0"

CHARMM> set nsopabot = 0
Parameter: NSOPABOT <- "0"

CHARMM> set nslpabot = 0
Parameter: NSLPABOT <- "0"

CHARMM> set ndypabot = 0
Parameter: NDYPABOT <- "0"

CHARMM> set nyopabot = 0
Parameter: NYOPABOT <- "0"

CHARMM> set ndopabot = 0
Parameter: NDOPABOT <- "0"

CHARMM> set ndgpabot = 0
Parameter: NDGPABOT <- "0"

CHARMM> set ndepabot = 0
Parameter: NDEPABOT <- "0"

CHARMM> set ndnpabot = 0
Parameter: NDNPABOT <- "0"

CHARMM> set nllpabot = 0
Parameter: NLLPABOT <- "0"

CHARMM> set nddpcbot = 0
Parameter: NDDPCBOT <- "0"

CHARMM> set ndcpcbot = 0
Parameter: NDCPCBOT <- "0"

CHARMM> set ndlpcbot = 0
Parameter: NDLPCBOT <- "0"

CHARMM> set ndmpcbot = 0
Parameter: NDMPCBOT <- "0"

CHARMM> set ndppcbot = 0
Parameter: NDPPCBOT <- "0"

CHARMM> set ndspcbot = 0
Parameter: NDSPCBOT <- "0"

CHARMM> set npopcbot = 40
Parameter: NPOPCBOT <- "40"

CHARMM> set nplpcbot = 0
Parameter: NPLPCBOT <- "0"

CHARMM> set npdopcbot = 0
Parameter: NPDOPCBOT <- "0"

CHARMM> set nsopcbot = 0
Parameter: NSOPCBOT <- "0"

CHARMM> set nslpcbot = 0
Parameter: NSLPCBOT <- "0"

CHARMM> set ndypcbot = 0
Parameter: NDYPCBOT <- "0"

CHARMM> set nyopcbot = 0
Parameter: NYOPCBOT <- "0"

CHARMM> set ndopcbot = 0
Parameter: NDOPCBOT <- "0"

CHARMM> set ndupcbot = 0
Parameter: NDUPCBOT <- "0"

CHARMM> set ndgpcbot = 0
Parameter: NDGPCBOT <- "0"

CHARMM> set ndepcbot = 0
Parameter: NDEPCBOT <- "0"

CHARMM> set nddopcbot = 0
Parameter: NDDOPCBOT <- "0"

CHARMM> set ndnpcbot = 0
Parameter: NDNPCBOT <- "0"

CHARMM> set ndlipcbot = 0
Parameter: NDLIPCBOT <- "0"

CHARMM> set nllpcbot = 0
Parameter: NLLPCBOT <- "0"

CHARMM> set ndlpebot = 0
Parameter: NDLPEBOT <- "0"

CHARMM> set ndmpebot = 0
Parameter: NDMPEBOT <- "0"

CHARMM> set ndppebot = 0
Parameter: NDPPEBOT <- "0"

CHARMM> set ndspebot = 0
Parameter: NDSPEBOT <- "0"

CHARMM> set npypebot = 0
Parameter: NPYPEBOT <- "0"

CHARMM> set npopebot = 0
Parameter: NPOPEBOT <- "0"

CHARMM> set nplpebot = 0
Parameter: NPLPEBOT <- "0"

CHARMM> set npdopebot = 0
Parameter: NPDOPEBOT <- "0"

CHARMM> set nsopebot = 0
Parameter: NSOPEBOT <- "0"

CHARMM> set nslpebot = 0
Parameter: NSLPEBOT <- "0"

CHARMM> set ndypebot = 0
Parameter: NDYPEBOT <- "0"

CHARMM> set nyopebot = 0
Parameter: NYOPEBOT <- "0"

CHARMM> set noypebot = 0
Parameter: NOYPEBOT <- "0"

CHARMM> set ndopebot = 0
Parameter: NDOPEBOT <- "0"

CHARMM> set ndgpebot = 0
Parameter: NDGPEBOT <- "0"

CHARMM> set ndepebot = 0
Parameter: NDEPEBOT <- "0"

CHARMM> set nddopebot = 0
Parameter: NDDOPEBOT <- "0"

CHARMM> set ndnpebot = 0
Parameter: NDNPEBOT <- "0"

CHARMM> set ndlipebot = 0
Parameter: NDLIPEBOT <- "0"

CHARMM> set nllpebot = 0
Parameter: NLLPEBOT <- "0"

CHARMM> set ndlpgbot = 0

***** LEVEL 0 WARNING FROM *****
***** Parameter table full. Ignored.
******************************************
BOMLEV ( 0) IS REACHED - TERMINATING. WRNLEV IS 5



/---------\
/ \
/ \
/ \
! XXXX XXXX !
! XXXX XXXX !
! XXX XXX !
! X !
--\ XXX /--
! ! XXX ! !
! ! ! !
! I I I I I !
! I I I I !
\ /
-- --
\---/
XXX XXX
XXXX XXXX
XXXXX XXXXX
XXX XXX
XXX XXX
XXXXX
XXX XXX
XXX XXX
XXX XXX
XXXXX XXXXX
XXXX XXXX
XXX XXX


Execution terminated due to the detection of a fatal error.

ABNORMAL TERMINATION
MOST SEVERE WARNING WAS AT LEVEL 0

$$$$$ JOB ACCOUNTING INFORMATION $$$$$
ELAPSED TIME: 0.56 SECONDS
CPU TIME: 0.32 SECONDS

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#37629 - 08/23/19 10:44 AM Re: I don't know parameter in step3_nlipids_upper&lower.prm [Re: sohyeon]
rmv Online   content

Forum Member

Registered: 09/17/03
Posts: 8383
Loc: 39 03 48 N, 77 06 54 W
Please see the READ BEFORE POSTING topic on how attach longer output segments as .txt files.

The scripts used by CHARMM-GUI for model building are somewhat complex and not good examples for a beginner just learning to use CHARMM.

Another issue is the unfortunate choice of words used in some CHARMM features; here a "parameter" is better described as a user script variable. This particular forum is for discussions of the molecular parameters used in the force field, which are quite different from the variables being assigned in the posted script.


Edited by rmv (08/23/19 01:19 PM)
Edit Reason: parameters vs. variables
_________________________
Rick Venable
computational chemist


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