Re: amber-developers: charges in mol2 versus prmtop

From: David A. Case <case.scripps.edu>
Date: Fri, 25 Jan 2008 15:03:07 -0800

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
Received on Sun Jan 27 2008 - 06:07:32 PST
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