AMBER Archive (2009)

Subject: Re: [AMBER] Suggestion for restraining chain of a protein

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Tue May 05 2009 - 05:05:16 CDT

that sounds reasonable.

On Tue, May 5, 2009 at 2:29 AM, nicholus bhattacharjee <
nicholusbhattacharjee_at_gmail.com> wrote:

> Dear community,
> I simulating a protein which have two chains (lets
> say A & B). Since I want to study the behaviour of only one chain (lets say
> B) I am restraining the other chain with the help of NTR, RESTRAINT_WT,
> RESTRAINTMASK in the equilibration as well as production run. I am not
> sure if it is the correct way to do it. Can anybody tell if I am wrong or
> right.
>
> --
> Nicholus Bhattacharjee
> PhD Scholar
> Department of Chemistry
> University of Delhi
> Delhi-110007 (INDIA)
> Phone: 9873098743(M)
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