AMBER Archive (2002)

Subject: RESP charges

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Wed Apr 17 2002 - 07:36:43 CDT

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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 
Deparment: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1389 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de  
Home Address: Gutenbergstrasse 26/8  
              37075 Goettingen, Germany 
Home tel. number: ++49-551-9963204
Mobile: ++49-179-6851586
alternative email: johhnny_ar_at_yahoo.com

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