[gmx-users] regarding confout.gro

RINU KHATTRI nickname.mittu at gmail.com
Tue Oct 14 06:31:20 CEST 2014


hello gromacs user i am working on protein ligand complex with popc membrane
i am running production md in extended time (40 ns) i got some file i
am using -noappend option i got confout.gro file in each extended time
what is the use of this file if i want see my protein or ligand are in
proper place this confout.gro is sufficient of i  have to see traj
file
thank you


tpbconv -s previous.tpr -extend timetoextendby -o next.tpr
mdrun -s next.tpr -cpi previous.cpt


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