Hi,
I am doing ONIOM calculations for RESP charge setup using gaussian
09. Now during optimization the VDW parameters for HW and HO are asked
to be set as they are being set to zero in 'amber.prm' incorporated
to gaussian 09. I have searched for the missing parameters in AMBER12
parm . I have found two different VDW radius for HO ( one in
'parm99EP.dat' and another in 'parmpol12.dat') and no parameter
corresponding to HW. I am confused regarding which one to pick for HO
and where to find the parameters for HW.
Please suggest,
Tanmoy
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Received on Fri Sep 13 2013 - 07:00:03 PDT
