Re: [AMBER] solvatebox

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Fri, 27 May 2011 21:44:48 -0700

> In any case, 'random' subtraction is doable in a 2-step process using a
> leap- or ptraj-generated PDB file as an intermediate (and then reading that
> back through leap after you remove a couple waters).

And remember to setbox after loadpdb'ing the modified box.

Bill

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Received on Fri May 27 2011 - 22:00:02 PDT
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