RESP charges

From: Vlad Cojocaru <Vlad.Cojocaru_at_mpi-bpc.mpg.de>
Date: Wed 17 Apr 2002 14:36:43 +0200

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The problem is that I have already done my calculations wit g94 and what
they suggest there is a change in the input for Gaussian (iop). Since
the calculations took a lot of time for the residues that I have I would
not like to redo all the g94 calculations again.
I have done HF/6-31G* OPT POP=MK so I have the results. Is there another
way to generate RESP charges from the ESP charges that I already have?
vlad 


-- 
Vlad Cojocaru 
Max Planck Institut for Biophysical Chemistry 
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Received on Wed Apr 17 2002 - 05:36:43 PDT
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