AMBER: equilibration of peptide

From: tushar garud <>
Date: Sat, 22 Mar 2008 09:32:25 +0530

Dear all,
I am new to amber.
I am studying dynamics of a peptide which is of 32 amino acid.
I minimized, heated and equilibrated it with implicit solvent(igb=2) and
shake on (ntc=ntf=2).
Graph of total energy after equilibration was deviating between -100 to
-300. Can I say it has been equilibrated?

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Received on Fri Apr 18 2008 - 21:13:03 PDT
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