AMBER Archive (2004)Subject: Re: AMBER: sander tutorial
From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Thu Jul 22 2004 - 07:33:08 CDT
the tutorials on the amber web site are up to date and pretty good.
the variables you mention were indeed retired long ago.
===================================================================
Carlos L. Simmerling, Ph.D.
Assistant Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling_at_stonybrook.edu
===================================================================
mathew k varghese wrote:
> HI,
>
> I am new to AMBER.
> Now I am working with the tutorial.
> While using the sander tutorial, I am getting an error message with
> certain input files given in the tutorial itself.
> The error message is
>
> *variable not in name list *
>
> When I edited the input files the sander works.
> The variables not included in the $cntrl namelist are
>
> *init, ndfmin, tauts, npscal, nrun, ntt, *
> In the amber manual these variables are included in the gibbs module.
> Can anybody help?
>
> I am working with a P4 pc with RedHat9 .
> Is it possible to run amber on a pc?
>
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