AMBER Archive (2007)

Subject: Re: AMBER: BUG? Does TLEAP understand SPC/E water?

From: David A. Case (case_at_scripps.edu)
Date: Fri Jun 01 2007 - 13:39:42 CDT


On Fri, Jun 01, 2007, David Cerutti wrote:

> (I checked the solvents.lib file, and it has the correct geometry and LJ
> parameters for both TIP3P and SPC/E).

(I hit "send" too soon on my previous post....) I think the above statement
must be wrong...the solvents.lib file doesn't have any LJ parameters at all.

...dac
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