[gmx-users] force field for polyphosphate!

David spoel at xray.bmc.uu.se
Fri Mar 26 16:42:00 CET 2004

On Fri, 2004-03-26 at 16:05, nanyu101 at sina.com wrote:
> Dear gmx-users,
>    Where can I get the force field for polyphosphate in Gromacs package? Can I use the force field of di-phosphate for it? Would you please give me some advices? Thanks very much!
We have done something like that in a paper a while ago:

D. van der Spoel, K.A. Feenstra, M.A. Hemminga and H.J.C. Berendsen:
Molecular modeling of the RNA binding N-terminal part of cowpea
chlorotic mottle virus coat protein in solution with phosphate ions
Biophys. J. 71 pp. 2920-2932 (1996)

This include chains of 4 and 8 phosphate groups (i.e. 4- and 8-
There is no electronic version of the paper available I'm afraid...

> Best wishes,
> nanyu
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David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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