Re: [AMBER] How to maintain planerity of graphene sheets

From: Bill Ross <>
Date: Thu, 14 Jan 2016 00:38:18 -0800

I wonder if improper torsions might be appropriate here.


On 1/13/16 11:16 PM, jagannath mondal wrote:
> Hi
> Which restraints can one use to maintain planarity of graphene sheets
> while performing MD simulations of their self-assembly ? My target is to do
> umbrella sampling simulations along z direction between two planer
> graphenes while it is allowed to move in xy direction if necessary. But I
> want to ensure the graphene sheets does not buckle at the same time..
> Jagannath
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Received on Thu Jan 14 2016 - 01:00:03 PST
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