[gmx-users] B3LYP/6-31++G** GAMESS derived charges to replace PRODRG assigned ones

naimah haron naimah cimot_ima98 at yahoo.com
Tue Jun 16 05:00:05 CEST 2009

Dear all...

Can I replace the charges that I get from B3LYP/6-31++G** GAMESS derived with the original PRODRG charges? Is this the right way to proceed ?



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