TIP4P water

From: Maria Kurnikova <mary_at_mambo.chem.pitt.edu>
Date: Thu 30 Nov 2000 10:36:25 -0500

Dear Ambereetes,

Does anybody have tips and/or files for running TIP4P water with AMBER6.
preferably starting with xleap.

For example OFF file for TIP4P as well as wat216.dat analog for solvation
purposes? Are there any special ways to feed it to sander? What to do with
zero mass particle in MD and so on?

I can see various pieces of evidence of its existence in amber but it seems
quite painful to pull it all together.

Please, help!


ps. please reply to email, I am not subscribed to the list. I will summarize

Maria Kurnikova
Chemistry Department,
University of Pittsburgh,
Pittsburgh, PA 15260
Received on Thu Nov 30 2000 - 07:36:25 PST
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