Re: [AMBER] AMBER parameters for caffeine molecule

From: FyD <>
Date: Fri, 23 Dec 2011 08:39:24 +0100

Dear Bhanita Sharma,

> I am doing a project on Caffeine simulation, and for this I
> needed all the force field parameters for Caffeine molecule. I am new to
> this field. Can someone help me in my work..?

You might use R.E.D. Server .

- you first prepare a P2N file by using Ante_R.E.D.
- you run R.E.D. to generate a FF library in the mol2 file format

regards, Francois

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Received on Fri Dec 23 2011 - 00:00:02 PST
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