Re: [AMBER] Torsion restrain

From: David A Case <>
Date: Tue, 13 Jan 2015 19:25:38 -0500

On Tue, Jan 13, 2015, Lara rajam wrote:
> I would like to restrain the sugar puckering and I need to restrain the
> torsion angle to maintain the same puckering.

If you are dealing with nucleic acids, the delta torsion is strongly coupled
to sugar pucker, so it may be sufficient to restrain that.

As Manuel pointed out, for just a few restraints, you can just create the
inputs by hand; there is often no need to use the DISANG format.

...good luck...dac

AMBER mailing list
Received on Tue Jan 13 2015 - 16:30:03 PST
Custom Search