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.
m.
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