Re: amber-developers: charges in mol2 versus prmtop

From: Carlos P. Sosa <cpsosa.msi.umn.edu>
Date: Fri, 25 Jan 2008 17:26:20 -0600

David A. Case wrote:

>On Fri, Jan 25, 2008, Carlos P. Sosa wrote:
>
>
>>Does anybody know where the scale factor of about ~18 between charges
>>printed in the mol2 file and charges printed in the prmtop file?
>>
>>
>
>Your question is a little garbled. If you want to know what the scale factor
>is, see http://ambermd.org/formats.html#topo.cntrl.
>
>If you want to know where it comes from, see
>http://ambermd.org/Questions/units.html.
>
>...dac
>
>

Yes, the second URL is perfect. Thanks Dave and Wei 

-- 
Carlos P. Sosa
Address: University of Minnesota                           
         Supercomputing Institute for                      
         Digital Simulation and Advanced Computation      
         599 Walter Library
         117 Pleasant St. SE
         Minneapolis, MN 55455       
email:   cpsosa.msi.umn.edu
Received on Sun Jan 27 2008 - 06:07:33 PST
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