OK, I fixed that error, but I still have results 0.
Here is a sample of the output:
NONBOND OPTION FLAGS:
ELEC VDW ATOMs CDIElec FSHIft VATOm VFSWIt
BYGRoup NOEXtnd NOEWald
CUTNB = 14.000 CTEXNB =999.000 CTONNB = 10.000 CTOFNB = 12.000
CGONNB = 0.000 CGOFNB = 10.000
WMIN = 1.500 WRNMXD = 0.500 E14FAC = 1.000 EPS = 1.000
NBXMOD = 5
There are 0 atom pairs and 0 atom exclusions.
There are 0 group pairs and 0 group exclusions.
with mode 5 found 106586 exclusions and 97544 interactions(1-4)
found 24112 group exclusions.
Generating nonbond list with Exclusion mode = 5
== PRIMARY == SPACE FOR 10550403 ATOM PAIRS AND 0 GROUP PAIRS
== PRIMARY == SPACE FOR 15825624 ATOM PAIRS AND 0 GROUP PAIRS
General atom nonbond list generation found:
15104476 ATOM PAIRS WERE FOUND FOR ATOM LIST
823754 GROUP PAIRS REQUIRED ATOM SEARCHES
CORREL> enter sr zero
CORREL> if ub eq 0 enter ss dupl sr
Comparing "0" and "0".
IF test evaluated as true. Performing command
CORREL> enter sx dupl sr
CORREL> if ug eq 0 enter sy dupl sr
Comparing "0" and "0".
IF test evaluated as true. Performing command
CORREL>
CORREL> set k 1
Parameter: K <- "1"
CORREL> label elp
CORREL> if ub eq 0 then
Comparing "0" and "0".
IF test evaluated as true. Performing command
CORREL> enter w@K vect z A @K H@{C}R A @K C2@C
Parameter: K -> "1"
Parameter: K -> "1"
Parameter: C -> "2"
Parameter: K -> "1"
Parameter: C -> "2"
CORREL> enter a@K vect r A @K H@{C}R A @K C2@C
Parameter: K -> "1"
Parameter: K -> "1"
Parameter: C -> "2"
Parameter: K -> "1"
Parameter: C -> "2"
CORREL> enter x@K vect z A @K H@{C}S A @K C2@C
Parameter: K -> "1"
Parameter: K -> "1"
Parameter: C -> "2"
Parameter: K -> "1"
Parameter: C -> "2"
CORREL> enter b@K vect r A @K H@{C}S A @K C2@C
Parameter: K -> "1"
Parameter: K -> "1"
Parameter: C -> "2"
Parameter: K -> "1"
Parameter: C -> "2"
CORREL> else
Skip commands until next ENDIF
CORREL> if c gt 15 goto eskip
CORREL> ! LOOP OVER LIPIDS; NORM, CALC SCD, ACCUM
CORREL> set k 1
Parameter: K <- "1"
CORREL> label clp
CORREL> mantim w@K ratio a@K ! DIVIDE VECTOR Z BY R (z OF UNIT VECTOR)
Parameter: K -> "1"
Parameter: K -> "1"
NSER: 1
NAMES: W1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim w@K squa ! z**2
Parameter: K -> "1"
NSER: 1
NAMES: W1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim w@K mult 1.5 ! * 3/2
Parameter: K -> "1"
NSER: 1
NAMES: W1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim w@K shift -0.5 ! - 1/2
Parameter: K -> "1"
NSER: 1
NAMES: W1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim sr add w@K
Parameter: K -> "1"
NSER: 1
NAMES: SR
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: ZERO
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 1
VALUE: 0.000000
CORREL> if ub eq 0 then
Comparing "0" and "0".
IF test evaluated as true. Performing command
CORREL> mantim x@K ratio b@K
Parameter: K -> "1"
Parameter: K -> "1"
NSER: 1
NAMES: X1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim x@K squa
Parameter: K -> "1"
NSER: 1
NAMES: X1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim x@K mult 1.5
Parameter: K -> "1"
NSER: 1
NAMES: X1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim x@K shift -0.5
Parameter: K -> "1"
NSER: 1
NAMES: X1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim ss add x@K
Parameter: K -> "1"
NSER: 1
NAMES: SS
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: ZERO
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 1
VALUE: 0.000000
CORREL> endif
CORREL> if c gt 15 goto mskip
Comparing "2" and "15".
IF test evaluated as false. Skipping command
CORREL> mantim y@K ratio c@K
Parameter: K -> "1"
Parameter: K -> "1"
NSER: 1
NAMES: Y1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim y@K squa
Parameter: K -> "1"
NSER: 1
NAMES: Y1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim y@K mult 1.5
Parameter: K -> "1"
NSER: 1
NAMES: Y1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim y@K shift -0.5
Parameter: K -> "1"
NSER: 1
NAMES: Y1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim sx add y@K
Parameter: K -> "1"
NSER: 1
NAMES: SX
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: ZERO
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 1
VALUE: 0.000000
CORREL> if ug eq 0 then
Comparing "0" and "0".
IF test evaluated as true. Performing command
CORREL> mantim z@K ratio d@K
Parameter: K -> "1"
Parameter: K -> "1"
NSER: 1
NAMES: Z1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim z@K squa
Parameter: K -> "1"
NSER: 1
NAMES: Z1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim z@K mult 1.5
Parameter: K -> "1"
NSER: 1
NAMES: Z1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim z@K shift -0.5
Parameter: K -> "1"
NSER: 1
NAMES: Z1
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: VECT
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 3
VALUE: 0.000000
CORREL> mantim sy add z@K
Parameter: K -> "1"
NSER: 1
NAMES: SY
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: ZERO
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 1
VALUE: 0.000000
CORREL> endif
CORREL> label mskip
CORREL> incr k by 1
Parameter: K <- "2"
CORREL> if k le @NL goto clp
Parameter: NL -> "274"
Comparing "2" and "274".
IF test evaluated as true. Performing command
CORREL> ! use final mantime to set AVER, FLUC for output
CORREL> open write unit 1 card name cd@{C}.txt
Parameter: C -> "2"
OPNLGU> Unit already open. The old file will be closed first.
VCLOSE: Closing unit 1 with status "KEEP"
VOPEN> Attempting to open::cd2.txt::
OPNLGU> Unit 1 opened for WRITE access to cd2.txt
CORREL> echu 1
CORREL> mantim sr divi @NL
Parameter: NL -> "274"
NSER: 1
NAMES: SR
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: ZERO
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 1
VALUE: 0.000000
CORREL> echo sr@C ?AVER ?FLUC
Parameter: C -> "2"
RDCMND substituted energy or value "?AVER" to "0"
RDCMND substituted energy or value "?FLUC" to "0"
CORREL> if ub eq 0 then
Comparing "0" and "0".
IF test evaluated as true. Performing command
CORREL> mantim ss divi @NL
Parameter: NL -> "274"
NSER: 1
NAMES: SS
TOTALS: 0
AVERAGE: 0.000000
FLUCT: 0.000000
VECCOD: 1
CLASS: ZERO
VELCOD: 0
SKIP: 1
DELTA: 0.000000
OFFST: 0.000000
GECOD: 1
VALUE: 0.000000
CORREL> echo ss@C ?AVER ?FLUC
Parameter: C -> "2"
RDCMND substituted energy or value "?AVER" to "0"
RDCMND substituted energy or value "?FLUC" to "0"
CORREL> endif
CORREL> if c gt 15 goto oskip
