Re: fixing internal coordinates

From: Jerome Henin (
Date: Mon Feb 05 2007 - 14:32:57 CST

Hi Martin,
The short answer is no...
The closest thing you can do is apply custom restraints on various internal
degrees of freedom.

On Monday 05 February 2007 15:01, Martin McCullagh wrote:
> Hi everyone,
> I was wondering if it is possible, in NAMD, to fix all of the internal
> coordinates (i.e. bonds, angles and dihedral angles) of a molecule while
> allowing its center of mass to move relative to other molecules. If so,
> how can I implement it?
> Thanks.
> Martin

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