atila.petrosian at gmail.com
Mon May 28 17:49:24 CEST 2018
Thanks for your answer.
"Only if you asked for velocity information to be written to the
trajectory, with nstvout"
Usually, I use the following lines in mdp files:
nstxout = 1000
nstvout = 1000
nstxtcout = 1000
nstenergy = 1000
nstlog = 1000
But, I get only position of atoms in time steps using VMD while I need to
the velocity values for each time in time steps.
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