AMBER: minimization

From: Jacopo Sgrignani <>
Date: Thu, 30 Oct 2008 19:03:29 +0100

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
Does Anybody have any advices to overcome this problem?


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Received on Fri Oct 31 2008 - 05:11:18 PDT
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