Re: external forces

From: johan strumpfer (johanstr_at_ks.uiuc.edu)
Date: Mon Apr 04 2011 - 11:07:02 CDT

Dear Matteo,

The constant force command is the correct command to add force that
does not change during the course of the simulation. To add
non-constant forces, have a look at the tclForces command.

Cheers,
Johan

On Mon, Apr 4, 2011 at 9:13 AM, Matteo Rotter <matteo.rotter_at_uniud.it> wrote:
> Dear all,
>
> I am attempting to add external calculated forces to a md simulation
> performed by namd. I am using the last version of namd (2.8b1).
> The question is:
> The constant forces command is the correct way to add external calculated
> forces? When i add this external forces i can't see any difference in the
> output provided by command "output onlyforces ./myfile". A long simulation
> shows a difference in rmsd between a normal run and a run adding
> constantForce but I still have the doubt if the forces are added or
> replaced.
> Probably better results could be obtained using "extForces" command?
>
> Thanks and regards,
> matteo.
>
>
>
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>
>
>

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