[gmx-users] g_energy (energygrps)

Atila Petrosian atila.petrosian at gmail.com
Tue Mar 11 14:23:39 CET 2014

Dear Justin

Thanks for your quick reply.

I did before:

Thus, I should obtain new tpr file from new mdp file with the desired

grompp -f new.mdp -c *.gro -p *.top -o new.tpr

Then, I should use

mdrun -s new.tpr -o new.trr -e new.edr -rerun old.trr

Are my manner and commands true?

Best wishes

More information about the gromacs.org_gmx-users mailing list