Re: NOE

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Tue Sep 20 2011 - 08:17:30 CDT

Hi Jacopo,

Have a look at the collective variable ("colvar") biases. You can
restrain a distance with half-harmonic wall potentials. There is
information in the user's guide, and in the namd-list archive (usually
easier to find through google).

Cheers,
Jerome

On 20 September 2011 14:27, Jacopo Sgrignani <sgrigna_at_sissa.it> wrote:
> Dear All
> is it possible to put something like NOE restraints in NAMD.
> I would like to put a wall between two atoms but I'm not able to do it.
>
>
> Thanks
>
>
> Jacopo
>

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