AMBER Archive (2003)

Subject: Re: Temperature control

From: Carlos Simmerling (carlos.simmerling_at_stonybrook.edu)
Date: Wed Jul 09 2003 - 16:15:29 CDT

how did you know that?
just because it wasn't listed?

>
> you still have the default value of 0.
>
> Try setting nmropt=1 (even though you don't have any "NMR" restraints)
> and see if that helps.
>
> This is a semi-bug: sander should probably read section TWO stuff under
all
> circumstances....
>
> ..good luck...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
> ==================================================================
>
>
>