Force field design

From: Abhishek TYAGI (
Date: Tue Jul 15 2014 - 11:55:35 CDT

I want to run MD, but unfortunately I do not have the reasonable force field for this molecule.

Now what I tried following approaches to get force field:

1. I tried CGenFF and got a *.str file but the data in the file is different from my input file i.e. mol2 file, the pdb format is different from the *.str file.

2. I tried to get force field from swissparam website and received the different file as *.par, *.top file, I tried MD on this field it runs successful, but the question is that is this correct approach?

3. I tried parameter tool available in VMD too I got some output from it too, but I am not able to connect all the information.

Any guess what to do to get accurate force field parameter for the molecule--_000_140544333545230691connectusthk_--

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