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
>
>
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo_at_scripps.edu
>

-- 
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
CMM Bldg, Room G80
Stony Brook University E-mail: carlos.simmerling_at_gmail.com
Stony Brook, NY 11794-5115 Web: http://comp.chem.sunysb.edu
===================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu