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.
Thanks
James
trjconv gets this kind of inputs
Trajectory: xtc trr trj gro g96 pdb cpt
should work for you.
See
http://manual.gromacs.org/online/trjconv.html
--
Gianluca Santoni,
Institut de Biologie Structurale
41 rue Horowitz
Grenoble
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