[AMBER] How to derive dihedral angle force constants by MCPB

From: JiYuan Liu <liujiyuan.nwsuaf.edu.cn>
Date: Wed, 22 Aug 2012 16:20:28 +0800


I have obtained bond and angle force constants by MCPB. My metal center
included a small molecule and a water molecule. The water molecule that
only have the bond and angle force constants could not be stable in MD
simulation, so I need MCPB to derive the dihedral force constants.Please
help me,thank you very much.

Best Regards

Jiyuan Liu
Key Laboratory of Plant Protection Resources and Pest Management,National Ministry of Education
Northwest A&F University
Yangling, Shaanxi
China 712100
Phone: 86-29-87092190
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Received on Wed Aug 22 2012 - 01:30:02 PDT
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