On Oct 14, 2010, at 11:42 AM, ms wrote:
On 14/10/10 17:32, XAvier Periole wrote:
Then I am not a fan of implicit solvents so I'll pass on that, then
for the
coarse grained FF the OPEP FF seem to be fine for your application.
You can also look at the ones from Deserno's group (bereau-2009) and
from Feig's group (primo: gopal-2010). I am no sure how the one of
voth
is transferable ... the others are :))
Is OPEP available as a Gromacs FF? I suspect that it is not trivial
to port to Gromacs, it includes explicit directional (angle-
dependent) hydrogen bond interactions, for example, which to my
knowledge Gromacs does not support.
I'd like if it was available though.
The have their own code that I am sure they would be happy to share!
m.
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