[gmx-users] Using the checkpoint file to restore corrupt trajectory.

Rajat Desikan rajatdesikan at gmail.com
Mon Jul 15 14:38:06 CEST 2013


Hi, 
I have a 20 ns long trajectory which has become corrupted beyond 18ns. I
have the full checkpoint file. Is there any way I can use mdrun and the .cpt
to rerun the simulation from 18ns and append it to the current .xtc (After I
have clipped the part beyond 18ns by trjconv)? I did not find the
appropriate flag in the mdrun online manual pages. 
Thanks.



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