Re: [AMBER] How to fix the wall of the water box in amber

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Sat, 6 Aug 2016 18:59:00 -0700

To keep the box walls from moving, use constant volume (NVT).

When adding waters in leap, it is normal to equilibrate at constant
pressure before going to constant volume.

Bill


On 8/6/16 6:17 PM, Ming Tang wrote:
> Dear list,
>
> Is there a way to fix the wall of the water box in amber?
>
> Thank you.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


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Received on Sat Aug 06 2016 - 19:00:01 PDT
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