AMBER Archive (2002)

Subject: Re: GB tutorial

From: David A. Case (case_at_scripps.edu)
Date: Thu Sep 26 2002 - 10:31:19 CDT


On Wed, Sep 25, 2002, eric hu wrote:

> Dr. Case, in your gb tutorial at amber.ucsf.edu
> website you do not have ntr=1 (instead you have
> ntx=1)in the restrained minimization input section.
> When I add ntr=1, amber produces an error: Unit 10
> Error on OPEN: refc
> Can you explain why this is? Thanks.
>

First, please don't send Amber related questions to me personally. Use
the reflector, <amber_at_heimdal.ucsf.edu>. That way many people can see your
question. I didn't write the gb tutorial, so I am not the correct person
to ask, anyway.

Alexey: can you look at the input files.

The "refc" refers to restraint coords. See p. 83 of the Users' Manual.

..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 ==================================================================