Re: [AMBER] sander simulated annealing

From: Brian Radak <radak004.umn.edu>
Date: Wed, 2 Nov 2011 12:24:45 -0400

Charlie,

You're going to have to be a bit more specific. Can you post an input
file? rk2 sounds like part of the NMR/restraint module but doesn't get us
very far beyond that...

Regards,
Brian

On Wed, Nov 2, 2011 at 11:53 AM, Charles Johnson <cjohns98.slu.edu> wrote:

> I am currently trying to run simulated annealing in vacuum and am running
> into the following error:
>
> At line 976 of file _nmrcal.f
> Fortran runtime error: Bad data for namelist object rk2
>
> Any help would be greatly appreciated.
>
> Thanks,
> Charlie
>
> --
> Charles A. Johnson
> Graduate Student
> Department of Chemistry
> Saint Louis University
>
>
>
>
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Received on Wed Nov 02 2011 - 09:30:03 PDT