[gmx-users] (no subject)
lpulagam at uos.de
Tue Sep 9 13:27:01 CEST 2003
Dear gromacs users,
I would like to calculate partial charges for the small
molecule which contains magnesium ion.
So I would like to use games for charge calculation. Could anybody give
the suggestions ?
I will be very much thankful to you, if anyone can send the example
input file for calculating the charge.
Thank you very much.
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