Re: AMBER: Formatting a restraint file

From: Carlos Simmerling <carlos.ilion.bio.sunysb.edu>
Date: Wed, 13 Apr 2005 17:18:54 -0400

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
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu



-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Apr 13 2005 - 22:53:01 PDT
Custom Search