AMBER Archive (2009)
Subject: Re: [AMBER] How to constrain the hydrogen bonding distances...

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed Feb 18 2009 - 08:25:47 CST

Previous message: Robert Duke: "Re: [AMBER] IG not change at each restart of NPT simulation"
In reply to: Majeed Shaik: "[AMBER] How to constrain the hydrogen bonding distances..."
Next in thread: David A. Case: "Re: [AMBER] How to constrain the hydrogen bonding distances..."
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

use the NMR restraints (nmropt=1). check the manual for details.

On Wed, Feb 18, 2009 at 9:11 AM, Majeed Shaik <m.shaik_at_manchester.ac.uk> wrote:
> What is the procedure to implement distance constraints between the hydrogen
> bonded distance...
>
> Majeed
>
> _______________________________________________
> 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

Previous message: Robert Duke: "Re: [AMBER] IG not change at each restart of NPT simulation"
In reply to: Majeed Shaik: "[AMBER] How to constrain the hydrogen bonding distances..."
Next in thread: David A. Case: "Re: [AMBER] How to constrain the hydrogen bonding distances..."
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]