AMBER Archive (2003)

Subject: Re: reducing restrains

From: David A. Case (case_at_scripps.edu)
Date: Tue Jan 07 2003 - 11:08:24 CST

On Tue, Jan 07, 2003, Luis Gracia wrote:
>
> Is it possible to gradually reduce the restrains set with ntr=1 and
> GROUP specifications? I thought about using nmropt=1 and type="REST" in
> the weight change section, but I am not sure of how to do it. I am
> working with amber7.

There isn't any way to do this, as far as I can see from the code, but there
should be. We'll try to get that incorporated.

..regards...dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================