[gmx-users] REMD problem

Liu, Liang liu4gre at gmail.com
Thu Sep 29 18:50:33 CEST 2011


After running for more than 12 hours, the REMD simulation is completed and
what I get is 50 log, 50 trr, 50 cpt and 50 tpr files.
Not sure if the result is reasonable.

I tried to analyze the result, and after applying demux.pl, two
files replica_index.xvg  replica_temp.xvg are obtained.

My question is how to obtain the structure information? (I will need pdb
file).
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