AMBER Archive (2008)

Subject: Re: AMBER: Using antechamber without AMBER program

From: David A. Case (case_at_scripps.edu)
Date: Mon Feb 04 2008 - 15:46:00 CST

On Mon, Feb 04, 2008, Surasak Chunsrivirot wrote:
>
> I'm completely new to AMBER and our lab doesn't have AMBER program yet. I want
> to use AMBER force fields to do simulation of small molecules, using CHARMM or
> NAMD software. I want to use antechamber to generate force fields for small
> molecules such as drugs, solvents, excipients and wondering if I can just use
> antechamber program to do that.

Yes, you can do that. One of the output options for antechamber is "charmm",
which may be helpful in your particular situation.

....dac

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