Hi List,
I would like to know more about application of amber polarisable force field
to large macromolecules mainly proteins.
I saw the original paper by Wang et al, J Comput Chem. 2006 Apr
30;27(6):781-90.
Strike a balance: optimization of backbone torsion parameters of AMBER
polarizable force field for simulations of proteins and peptides.
The simulations are based for short peptide. I want to know if anybody has
evailated the performance of ff02 with POL3 water model for helical peptides
(>5 amino acids).
Many thanks,
Neha
--
Regards,
Neha Gandhi,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 10 2010 - 02:30:03 PDT
