[gmx-developers] page num 75/ charge groups
David van der Spoel
spoel at xray.bmc.uu.se
Fri Sep 5 15:34:56 CEST 2003
On Fri, 2003-09-05 at 10:16, Lakshmi Padmavathi wrote:
> Dear gromacs develepors,
> in manual page number 75, there is a definition regarding charge groups. the
> sum of charge groups of every charge group should be zero. but in some
> aminoacids (charged) the sum of charge groups is not zero.
> i will be very thankful to you, if could give suggestion.
should be integer preferably, although for PME it does not matter.
> thank you
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Dr. David van der Spoel, Dept. of Cell & Mol. Biology
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spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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