Re: [AMBER] Protein drift from solvent box

From: Bill Ross <>
Date: Thu, 19 Oct 2017 07:29:39 -0700

The box size should not be used as the cutoff, if that's what you did.
The box will shrink and the cutoff will extend beyond it, not sure what
the consequences are anymore.


On 10/19/17 7:06 AM, Thakur, Abhishek wrote:
> I have solvated my glycoprotein using the tleap input file given below. It specified that the distance between solute and boundary should be 10.0 and, assuming that this was the case, I proceeded to use this as input for MD.

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Received on Thu Oct 19 2017 - 07:30:03 PDT
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