AMBER Archive (2005)

Subject: Re: AMBER: Formatting a restraint file

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Wed Apr 13 2005 - 16:18:54 CDT

do you want positional restraints? in that case you don't
need the disang file. that's for distance, angle or dihedral
restraints. tell us what you are trying to restrain and we can
point you to the right spot...
carlos

Kara Wald wrote:

> I'm trying to restrain a Ca within a protein for a dynamics simulation
> and am having trouble formatting the DISTANG file.
>
> I've looked at the sample files in the manual and read the section.
> What are r1 through r4? In the manual, there is a blank listed next
> to them and I've found references to "should be formatted like
> r1through r4" but no info about what they stand for/mean.
>
> Thanks,
>
> Kara Di Giorgio
>
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