Re: [AMBER] MM-GBSA for recptor-magnesium-ligand complex

From: David A Case <>
Date: Thu, 7 Jun 2018 07:28:20 -0400

On Thu, Jun 07, 2018, Urszula Uciechowska wrote:
> CalcError: /users/work/czarek/amber16/bin/sander failed with prmtop
> Error occured on rank 0.
> Exiting. All files have been retained.

You need to look at the sander output file(s) to get a better idea of
what the problem is. It will be in the run that used the complex

...good luck....dac

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Received on Thu Jun 07 2018 - 04:30:03 PDT
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