On Thu, Mar 25, 2010, Workalemhu Berhanu wrote:
> I am trying to do md simulation on a small peptide with explicit water
> as a solvent using amoeba force filed in amber 10. Would you please
> provide me a script for creating the topology files using amoeba force
> field, the minimization and MD simulation?
It's not clear what you have already read. Please see the Users' Manual
section on the amoeba force field. There are samples in
$AMBERHOME/test/sleap/amoeba.
...good luck...dac
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Received on Thu Mar 25 2010 - 11:00:07 PDT
