From: Peterson J (peterson.jjjj_at_gmail.com)
Date: Mon May 20 2013 - 13:03:57 CDT
Hi VMD and NAMD users,
I'm very new to VMD and NAMD. I'm now in the process of parameterizing a
ligand molecule. As I came across various a few web tools like paramchem,
swissparam and so on. I have also seen VMD providing a plugin called
Forcefield Toolkit calculating parameters using Gaussian and preparing the
files for MD run using NAMD.
I would like to get a few suggestion points on which one to use and the
advantages and disadvantages over one another.
What if I use one of the mentioned webtools instead of ffTk that use
lengthy QM calculations to obtain the parameters?
Thanks in advance for the suggestions.
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