[gmx-users] PRODRG question
zoon at science.uva.nl
Thu Jun 10 09:17:11 CEST 2004
Does anybody know how the charges and the charge-groups are being
designated, when obtaining a topology through the prodrg-server?
We submitted a structure and obtained a starting topology, but it
seems that the charges are horribly wrong and the designation of the
charge groups doesn't seem to be very logically and consistent.
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