Amber also does not create a charge neutral QM/MM system when using Q-Chem
as the target QM application.
QM charge is -18
MM charge sums to +34.75201321
Is anyone interested in helping us fix this? Relevant files are attached.
Thanks.
Jim Kress
James Kress Ph.D., President
The KressWorksR Institute
An IRS Approved 501 (c)(3) Charitable, Nonprofit Corporation
"Engineering The Cure" C
(248) 573-5499
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Website: <http://www.kressworks.org/> http://www.kressworks.org
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Received on Mon Nov 18 2019 - 15:30:02 PST
