AMBER Archive (2000)

Subject: Re: NRUN in input file

From: jim caldwell (caldwell_at_heimdal.compchem.ucsf.edu)
Date: Sun Mar 12 2000 - 18:47:19 CST

As the message states, "nrun" is no longer a variable in sander.
If you really want the capability use sander_classic. Otherwise
anything you might want to do in the way of simulated annealing
can either be done with the nmr options or by scripting your
sander run through the Interface program.

jim

On Sun, 12 Mar 2000, David Bevan wrote:

> I am trying to run Amber6 on an SGI R10000 under IRIX 6.5. If I include the
> nrun parameter in the input file for sander, I get the following error
> message:
>
> namelist read (nrun): variable not in namelist
>
> Can anybody tell me why this happens?
>
>
> David Bevan
>
> David R. Bevan
> Dept. of Biochemistry
> 201 Fralin Biotechnology Center
> Virginia Tech
> Blacksburg, VA 24061
>
> Phone: (540) 231-5040
> FAX: (540) 231-9070
>
>
>

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