[gmx-users] Generalized born parameters
yesint4 at yahoo.com
Thu Nov 30 10:26:50 CET 2006
Ok, I've got this paper and also the original (I hope
so) paper describing the method:
J Comput Chem. 2004 Mar;25(4):479-99.
Gallicchio E, Levy RM. AGBNP: an analytic implicit
solvent model suitable for molecular dynamics
simulations and high-resolution modeling.
The method is not very easy to understand and the
parameters are incompatible with GROMCACS units and
atom types, so implementation should be quite
--- Ran Friedman <r.friedman at bioc.unizh.ch> wrote:
> David van der Spoel wrote:
> > so what's the reference for that?
> > it's definitely not in vanilla gromacs, so I
> propose contacting the
> > groningen group about it.
> *Chemical Theory and Computation Special Feature:
> Comparative study of
> generalized Born models: Protein dynamics*
> Hao Fan, Alan E. Mark, Jiang Zhu, and Barry
> PNAS 2005 102: 6760-6764
> > _______________________________________________
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