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.
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> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Sat Aug 06 2016 - 19:00:01 PDT
