Re: [AMBER] Particles moving outside of simulation box for pmemd.cuda.mpi

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 4 Apr 2012 09:11:50 -0400

On Wed, Apr 04, 2012, Adam Jion wrote:
>
> How do you specify the box information in Amber 11?

You need to use the setBox or solvateBox or solvateOct options in LEaP.

...dac

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Received on Wed Apr 04 2012 - 06:30:06 PDT