Re: fixing internal coordinates

From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
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.
Jerome

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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