On 21/10/2011 10:49 PM, Chandan Choudhury wrote:
Hi gmx-users,
Is it possible to extend a simulation with change in the output
control parameter (nstxtcout)?
Yes, but not with tpbconv. Take your original .mdp file, change what you
want, invoke grompp the same way. You can either give the checkpoint
file to grompp -t or to mdrun -cpi depending what you are doing.
Mark
I am aware of that tpbconv can extend a simulation with the same
output controls as in the input tpr file.
Chandan
--
Chandan kumar Choudhury
NCL, Pune
INDIA
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