VMD-L Mailing List

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Thu May 24 2007 - 01:14:37 CDT

Either I am bothering developers and subscribers with
improper questions, or paratool/gaff are not in common
use at vmd, so that noone is able to answer. Though,
more and more problems can't be attacked with
classical MD with parameters for only
nucleotides/proteins/carbohydrates/"lipids".

Thus, I posed two questions in a three weeks period
that remained unanswered. Here again:

1)Is it possible to provide (manually) the data
paratool needs using a QM code that is neither
Gaussian or Gamess?

2)If I understand, the GAFF FF can be imported into
VMD. Correct?

That would save me the time of installing NAMD/VMD to
try myself, perhaps to learn that the answer is NO to
question (1), a problem that I could not circumvent
otherwise.

Thanks

francesco pietra

       
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