VMD-L Mailing List
From: surya narayanan chandrasekaran (sonofsunsurya_at_gmail.com)
Date: Mon Aug 05 2013 - 12:06:32 CDT
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HI,
I have a doubt on the OPT_charge tab in FFTK
what is water shift setting start(-0.4) end (0.4) Delta(0.05) (is delta
difference between? ) offset ?
is this water shift setting is return in MMdistdelta in log file?
thnkq
-- Suryanarayanan C M.S Chemist 01742857830
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- Reply: Mayne, Christopher G: "Re: Regarding FFTK option"
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