[gmx-users] how to get charmm force field input file for MD
Mark Abraham
Mark.Abraham at anu.edu.au
Wed Jan 16 12:52:26 CET 2008
sarbani chattopadhyay wrote:
>
> hi,
> This is not specificaly A GROMACS related question.
> I want to do MD simulations using CHARMM force field using GROMACS. I
> am aware of the
> perl programs written by M. ABRAHAM and look forward to using it. I want
> to know which is
> the most convenient way in which I can get the CHARMM force field input
> file.
Google will find the official CHARMM force fields. Various modified
versions etc. might best be obtained from the websites of the authors of
the papers that describe them.
Mark
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