On Thu, 27 Dec 2007 17:14:31 +0800
Yang Ye <[EMAIL PROTECTED]> wrote:
Use mdrun -rerun (will not be a complete recovery).
You MUST use the trr file to rerun. The xtc file is not precise enough
and your energies would be wrong.
You also need to change the mdp for the update of the neighbor list (every
step), write the energies every step.
You will recover only what is in the trr file.
pragya chohan wrote:
Dear users
I by mistake deleted the edr file generated from production run. Is
there any way to recover or generate the edr file again?
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<http://ss1.richmedia.in/recurl.asp?pid=201>
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-----------------------------------------------------
XAvier Periole - PhD
NMR & Molecular Dynamics Group
University of Groningen
The Netherlands
http://md.chem.rug.nl/~periole
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