Re: AMBER: About umbrella sampling in Amber 8

From: David A. Case <case.scripps.edu>
Date: Tue, 15 Jun 2004 09:05:59 -0700

On Mon, Jun 14, 2004, Yuhui Cheng wrote:

> Would you please tell me whether Amber 8 can do
> umbrella sampling with two dihedral angles at the same
> time? I didn't find any explanation from the manual.
>
This should not be a problem. Just put two restraint terms in your
RST file (see p. 138 of the Users' Manual).

....dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jun 15 2004 - 21:53:01 PDT
Custom Search