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 ==================================================================