AMBER Archive (2008)

Subject: Re: AMBER: Using antechamber without AMBER program

From: Surasak Chunsrivirot (fa833_at_MIT.EDU)
Date: Mon Feb 04 2008 - 18:22:38 CST


Thank you very much for your help.

Sincerely,
Surasak

Quoting "David A. Case" <case_at_scripps.edu>:

> 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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