Re: [AMBER] solvatebox

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Thu, 26 May 2011 12:06:31 -0700

> If you need them to have the same number of waters, you can tinker
> with the buffer size of the smaller system until you get the right
> number.

It seems people want to set the number of waters often enough that
it might be worth adding to leap. The simplest approach I can think
of would be a new cmd that would reduce the number of waters by
random subtraction to a specified amount.

Bill

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Received on Thu May 26 2011 - 12:30:02 PDT
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