Dr. venable..I performed a short simulation [DYNAMICS start nstep 50000 timestp 0.002 nprint 100 -
langevin iasvel 1 firstt 300.0 finalt 300.0 -
rbuf 0.0 inbfrq 50 ihbfrq 0 ilbfrq 50 -
iunread -1 iprfrq 100 twindh 5.0 twindl -5.0 -
iunwrite 12 ichecw 1 ieqfrq 0 tbath 300.0 -
iuncrd 20 nsavcrd 250 echeck 1000000000 -
iunvelo -1 nsavvelo 0]
and it terminated normally.
but now I would like to do a 10 ns simulation. in order to do that, do I increase the nstep to 100000 and timestp to 0.100?
thank you in advance.

Last edited by sj1; 03/02/13 04:35 PM.