You could use the antechamber program to generate charmm parameter files
(.rtf .inp .prm). The command likes this:
antechamber -fi mol2 -fo charmm -i input.mol2 -o input
Best
Junmei
On Feb 4, 2008 2:58 PM, Surasak Chunsrivirot <fa833.mit.edu> wrote:
> Dear staffs,
>
> 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. Do I need to buy AMBER software if I want
> to
> just generate force fields for small molecules? Your suggestions would be
> greatly appreciated.
>
> If I need to buy AMBER, I'll try to convince my adviser to buy one.
>
> Thank you very much for your help.
>
> Sincerely,
> Surasak (a PhD student)
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Received on Sun Feb 10 2008 - 06:07:30 PST
