Re: dihedral restraints "on-the-fly"?

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Mon May 26 2008 - 22:06:46 CDT

Yes, using tclForces. The NAMD manual even gives a specific example
using a dihedral. See here: http://www.ks.uiuc.edu/Research/namd/2.6/
ug/node33.html#SECTION000968

On May 26, 2008, at 7:40 PM, Sebastian Stolzenberg wrote:

> Hi everybody,
>
> In a NAMD script, how can I restrain dihedrals to angles that are
> NOT known prior to the script's execution? Can I measure dihedrals
> in NAMD before restraining?
>
> Thank you very much,
> Cheers,
> Sebastian

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