[gmx-users] PRODRG question

Peter Zoon zoon at science.uva.nl
Thu Jun 10 09:17:11 CEST 2004

Hi everyone,

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.

Thanks !


More information about the gromacs.org_gmx-users mailing list