[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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