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 - 05:30:03 PDT
