[gmx-users] 1 ps simulation
mceruso at physbio.mssm.edu
Tue Aug 12 20:27:00 CEST 2003
i was just curious, i am attempting to run a simulation for 1 ps and i
want it to spit out coordinates, velocities, etc every couple of ns.
>> Did you mean the other way around ? 1ns MD and write every couple of ps?
do i need to adjust the mdp file or will it do it for me automatically?
>>In any case you need to adjust dt,
nsteps,nstxtcout,nstxout,nstvout,nstfout,nstenergy in the .mdp as per your
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