Force field Parametrization

From: Dr. Eddie (
Date: Fri Nov 30 2012 - 09:09:34 CST

Hello all,
I'd like to include an inhibitor in my namd simulation. I see vmd has a
tool to create the parameter file needed, although everything must be
entered manually (and then you hope you haven't made a mistake). I've seen
the Spartan tutorial which is nice but that's not free software. The
antechamber requires Gaussian (and thus learning how to use Gaussian). Does
anyone have any experience generating a force field parameter file using
free software and what would be the simplest route for doing this? (I'm not
expecting it to be trivial, I just don't want to run a marathon if there is
a shortcut).

I appreciate any help. I kow this isn't exactly namd specific but I need
the resultant file to be usable by namd and thus other methods which may be
automatic are not of use if namd can't use them as input.


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