On 2013-02-14 07:02, fayaz wrote:
Dear Gromacs Forum,
I want to do RNA simulation using Gromacs. I have installed gromacs 4.5.5
and i found Charmm force field present in it. Can I use this force field for
my simulation. I am asking this because I heard that Charmm force field in
Gromacs is incomplete and different from the one that is present in CHARMM
software package. I think this conception is present with many of the
gromacs users. Most of my friends are also not using Charmm force field that
comes with gromacs. Please clear this doubt.
Please read the paper by Bjelkmar et al. about the implementation of the FF.
Rumors is not enough, but if there is concrete evidence that something
is incorrect a bug-report should be filed at http://redmine.gromacs.org.
Another question is whether Amber or Charmm is the better force field
for RNA. In my group we use Amber.
Thanks in advance
Fayaz
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David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
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