[AMBER] About md parameters for unuaual amino acid residues

From: Rilei Yu <yulaomao1983.yahoo.com.cn>
Date: Tue, 15 Jun 2010 13:12:57 +0800 (CST)

Dear amber users,

Recently, I am doing MD simulation on a system that contains some special residues, for example, HYP. Unfortunately, I could not use amber10 simulate this system (Maybe I did not load the relevant forcefield). So I just did everything as the tutorial did, and could run MD on my system. Although, it works well now, I am still interested in parameters of these abnormal residues. After all, I am not so confident at the accuracy of the parameters obtained based on manually editing (for exp, using antechamber). If the parameters has appeared, I hope everyone here can inform me.

I am really apppreciated for your help!

Rilei Yu

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Received on Mon Jun 14 2010 - 22:30:05 PDT
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