[gmx-users] How to get the last shapshot from md.trr or md.xtc file

X.Periole X.Periole at rug.nl
Wed May 25 08:45:44 CEST 2005


On Tue, 24 May 2005 20:19:24 -0700 (PDT)
  chiloo Laohpongspaisan <chiloo77 at yahoo.com> wrote:
> Dear All,
> 
> If i 've already run md, how can i see the last 
>snapshot?
if the run finished correctly the last snap shot is in
confout.gro.
if the job crashed you can check the time last frame in
traj.xtc ot traj.trr using
gmxcheck -f traj.xtc or -f traj.trr.
Then use
trjconv -f traj.xtc or -f traj.trr -dump time -o 
confout.gro


XAvier



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