[AMBER] Amber targeted MD variables

From: 李耀 <liyao17.mails.tsinghua.edu.cn>
Date: Mon, 23 Jul 2018 17:57:44 +0800 (GMT+08:00)

Hello Amber users,

I'm trying to do targeted MD in Amber and have some problems in choosing values of the variables, for example tgtmdfrc and restraint_wt(for restraintmask). Is there any correlation between these two variables and the corresponding energy terms?

Looking forward to your advices or examples or related documents recommended. Thank you all!

Yao Li
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Received on Mon Jul 23 2018 - 03:00:03 PDT
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