AMBER Archive (2008)

Subject: Re: AMBER: about hydrogen bond in amber force field

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu May 22 2008 - 02:08:08 CDT

even though there is no term for hydrogen bonds, the electrostatics
do well at reproducing H bonds. use ptraj for the analysis of Hbonds.

On Wed, May 21, 2008 at 10:24 PM, WANG,YING <wangying_at_ufl.edu> wrote:
> Hi, Dear AMbers,
> I know that glycam06 doesnot consider hydrogen bond but only use vdw and
> electrostatic to represent the long range force. My question is: if I want
> to monitor the hydrogen bond, how can I do?
> If any boday know, could you tell me?
> Thanks a lot!
>
>
> Ying
>
>
>
>
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-- 
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Carlos L. Simmerling, Ph.D.
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