AMBER Archive (2000)

Subject: TIP4P water

From: Maria Kurnikova (mary_at_mambo.chem.pitt.edu)
Date: Thu Nov 30 2000 - 09:36:25 CST

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!

sincerely,
maria

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

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Maria Kurnikova
Chemistry Department,
University of Pittsburgh,
Pittsburgh, PA 15260
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