[gmx-users] simulation continuation without -t option

Prabir Khatua prabir07chem at gmail.com
Thu Sep 19 18:58:00 CEST 2019

Hello Gromacs users,

I have a confusion about generating tpr file from .gro. I have not used -t
option while
generating .tpr file. Please note that in this case, I first did a
simulation in NVT ensemble
followed by NPT ensemble. In case of NPT run, I am using gen_vel option as
no in the mdp file and the last gro file that I used for generating tpr for
the next run (NVT) had both position and velocities. However, the output of
grompp option showed a seed value but I am not sure whether it was same as
that of the NVT run. So my concern is whether it considered the velocities
from the .gro file or it generated  a new set of velocities. If it
generated the new set of velocities, can anyone tell me what was the job of
-c option corresponding to .gro file that contained both position and
velocities or -c option works for only position? Any help would be

Thanks in advance!



*Prabir Khatua*
*Postdoctoral Research Associate*
*Department of Chemistry & Biochemistry*
*University of Oklahoma*
*Norman, Oklahoma 73019*
*U. S. A.*

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