Re: [AMBER] how to fix COM of a group of atoms?

From: Ming Tang <>
Date: Mon, 11 Jul 2016 00:45:19 +0000

Thank you Himanshu,

will ntr=1 and restraintmask fix all the atoms in the specified group or the centre of mass of the group only?

-----Original Message-----
From: Himanshu Joshi []
Sent: Sunday, 10 July 2016 3:02 PM
To: AMBER Mailing List <>
Subject: Re: [AMBER] how to fix COM of a group of atoms?

You can either use ibelly=1 or ntr =1 along with the selection of the group of atoms you want to fix.
Please refer to section 18.6.4. (Frozen or restrained atoms) of amber16 manual.

On Fri, Jul 8, 2016 at 6:31 PM Ming Tang <> wrote:

> Dear list,
> Is there a way in amber to fix the center of mass of a group of atoms?
> Thank you
> _______________________________________________
> AMBER mailing list
With Regards
Himanshu Joshi
Department of Physics
IISc Bangalore India
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Received on Sun Jul 10 2016 - 18:00:03 PDT
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