Hi,
Have you checked out the Amber tutorials? I think this tutorial in
particular will be very useful for you:
http://ambermd.org/tutorials/basic/tutorial4b/
-Dan
On Tue, Aug 30, 2011 at 8:17 AM, Chidambar Kulkarni
<chidkul007.gmail.com> wrote:
> Dear Amber users,
> I am a new-comer to the AMBER package and I want
> to run minimization for an organic molecule using GAFF in gas phase.
> Using antechamber I am able to generate the .prepin file, but using this
> file I am unable to create the parameter and topology file using xleap.
> Can anyone tell me how to generate parameter and topology file in the gas
> phase without solvents and run a minimization.
>
> Thank you in advance
>
>
> --
> Chidambar Kulkarni
> Graduate student,
> Molecular Simulations Lab,
> JNCASR, Jakkur,
> Bangalore-560064, India
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Received on Tue Aug 30 2011 - 06:30:03 PDT
