[gmx-users] Re: tip5p water

David spoel at xray.bmc.uu.se
Sat Mar 29 14:34:01 CET 2003


On Sat, 2003-03-29 at 14:30, Senthil Kandasamy wrote:
> This is with reference to the tip5p.itp file that David posted.
> Shouldn't the charge on the HW atom be +0.24 (in the [atomtypes]
> section) rather than 0? 
doesn't matter cause it's specified below in the atoms section which
supersedes the atomtypes section
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular 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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