Re: [AMBER] Fwd: Regarding QM/MM calculation in AMBER14

From: Adrian Roitberg <roitberg.ufl.edu>
Date: Mon, 2 Nov 2015 08:45:10 -0500

Hi

None of those are errors, they are warnings. Did your job run ?

Adrian


On 11/2/15 7:41 AM, Sivanandam M wrote:
> Dear Amber users,
> I got the following error, at the time of
> running QM/MM calculation of protein -ligand complex. I dont know what is
> the solution of that problem. the error is.
>
> *Sum of charges from parm topology file = -2.99899913*
> *Assuming uniform neutralizing plasma*
> *Running AMBER/MPI version on 40 nodes*
>
> *| WARNING: The number of processors is not a power of 2*
> *| this may be inefficient on some systems.*
>
>
> *please help to run the job.*
>
> --------------------------------------------------------
> M.SIVANANDAM
> Research Scholar
> Department of Physics
> School of Physical Sciences
> Periyar University
> Salem-636 011
> Mobile- 9965582730, 9042066076
> --------------------------------------------------------
>
>
>
>
>

-- 
Dr. Adrian E. Roitberg
Professor.
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Mon Nov 02 2015 - 06:00:07 PST
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