Hi
I'm trying to minimize some snapshots extracted (using ptraj) from an
MD simulation but i have a problem. Actually the rmsd value don't go
down but it has an increment during the minimization. Moreover during
the minimization the electrostatic energy or vdw values become very
high.
Does Anybody have any advices to overcome this problem?
Thanks
Jacopo
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Received on Fri Oct 31 2008 - 05:11:18 PDT
