[gmx-developers] page num 75/ charge groups

[David van der Spoel]

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
> 
> sincerely,
> lakshmi
>  
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
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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