[gmx-users] Making a restart file from xtc and trr ?

[Marc Baaden]

Hi,

I have an annoying problem, as some simulations
 crashed and I would like to restart them.

I have only written out velocities and forces to the trr
and the coordinates to an xtc. Eg there are NO coordinates
in the trr !
I have not yet figured out whether it is possible to use the velocities
from the trr and combine them with the corresponding coordinates
from the xtc ?

Any hints are greatly appreciated,

  Marc Baaden

-- 
 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
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