Re: [AMBER] constant pressure simulation

From: David A Case <>
Date: Fri, 5 Jul 2013 08:35:58 -0400

On Thu, Jul 04, 2013, kirtana S wrote:
> I am performing a constant pressure simulations with a methanol box . My
> system blows up i.e during the constant pressure run the box expands.
> Please suggest

There is way too little information here for anyone on the list to be of much
help. For example, we don't know which force field you used, how you created
the initial coordinates, how much the box expanded, what temperature you used,
and so on.


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Received on Fri Jul 05 2013 - 06:00:06 PDT
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