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

[naimah haron naimah]

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 ?

Thanks..

IMA


      
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