[gmx-users] How to obtain .gro file from unfinished simulation?
gianluca.santoni at ibs.fr
Wed Nov 16 07:46:14 CET 2011
On 11/16/11 2:09 PM, James Starlight wrote:
> Dear Gromacs Users!
> I wounder to know how I can obtain .gro file from the unfinished ( e.g
> termenated or crashed ) MDrun. I Have only trajectory of my system in .trr
> How I can obtain gro file from that .trr wich would correspond to the
> last simulation time before my simulation was stoped ?
> I've tried to use trjconv for that purpose but as I understood for
> this program trajectory in xtc format is needed.
trjconv gets this kind of inputs
Trajectory: xtc trr trj gro g96 pdb cpt
should work for you.
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