[AMBER] Is there some constrains required for the REMD simulation on disaccharide in Amber11?

From: 黄恋琦 <huanglianqi3227.126.com>
Date: Tue, 20 Mar 2012 15:42:05 +0800 (CST)

Dear all:


In the Amber tutorial for the REMD simulation on peptide, there is a need to make some restrains on peptide dihedrals to remove artifact caused at high temperature.


Now I need to perform REMD simulation on disaccharide with GLYCAM_06 parameters. My question is, is there also some constrains required for the REMD simulation on disaccharide to remove artifact at high temperature.


Thanks!


Lianqi
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Received on Tue Mar 20 2012 - 01:00:03 PDT