Re: creating a box of solvent

From: <ross_at_cgl.ucsf.EDU>
Date: Thu 4 Nov 1999 17:55:40 -0800 (PST)

        how to create a box of solvent

In leap,

> solvatebox mysolvent mysolvent distance

which will produce a simple array of molecules to be equilibrated.
Then convert the equilibrated box to pdb, load it, set a box on
it, and saveoff to a lib for future use.

Bill Ross
Received on Thu Nov 04 1999 - 17:55:40 PST
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