[gmx-users] How to make a CG topology for a modified residue?
Du Jiangfeng (BIOCH)
j.du at maastrichtuniversity.nl
Thu Sep 8 10:29:40 CEST 2011
I am going to simulate the interaction of prothrombin's Gla domain with membrane in martini force field. Here I encountered a problem: there are 10 modified GLUs in GLA domain. Martini force field can't recognize them. How should I overcome this problem?
What I want to do now is to add this modified residue into martini force field, but I do not know whether it is feasible or logical? What's worse, I really don't know what is BNLN, BNKB or ANGL? Where can I get some references about this story?
Any help will be appreciated,
Jiangfeng Du, PhD Student
Cardiovascular Research Institute Maastricht
Department of Biochemistry
P.O. Box 616
6200 MD Maastricht
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