[gmx-users] errors on restart with tpbconv

gianluca santarossa gianluca_santarossa at fastmail.fm
Thu May 18 16:41:53 CEST 2006

Florian Haberl wrote:
> Hi,
> if the run died before wrting out a complete frame you have to restart from 
> the last complete frame.
I agree :), but is there a way to check out automatically the last 
useful frame?
If, as I think, ener.edr is written after (or less frequently than) 
traj.trr, than traj.trr has equal or more frames than ener.edr. 
Therefore, why gromacs reads traj.trr before ener.edr? And why it 
computes the last frame from traj.trr?
I really don't understand how to overcome the problem. I think there 
should be a way to directly compute the last useful frame. Or to update 
the energy files more frequently, therefore minimizing the loss of data.


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