AMBER Archive (2009)

Subject: Re: [AMBER] Backbone restraint

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Fri Apr 17 2009 - 21:35:26 CDT

it's pretty well documented in the manual and examples in the test
cases- look at the positional restraints, set by ntr=1. it will do
exactly what you need.

On Fri, Apr 17, 2009 at 10:30 PM, Rilei Yu <yulaomao1983_at_yahoo.com.cn> wrote:
>
> Dear AMBER users,
>
> I want to perform MD on protein-ligand complex to consider the flexibility of the side chains in the binding pocket. So I want to restraint the backbone of the receptor, while the side chains are not restrainted. Can anyone tell me some script that can carry out this function?
>
> Best Regards,
> Rilei Yu
>
>
> ___________________________________________________________
> 好玩贺卡等你发，邮箱贺卡全新上线！
> http://card.mail.cn.yahoo.com/
> _______________________________________________
> AMBER mailing list
> AMBER_at_ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber