AMBER Archive (1999)

Subject: Re: creating a box of solvent

From: ross_at_cgl.ucsf.EDU
Date: Thu Nov 04 1999 - 19:55:40 CST

        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