From: soroush ziaei (soroush.ziaei7337_at_gmail.com)
Date: Sat Oct 27 2018 - 16:37:20 CDT
hi all,
i want to know how can i detect which atom should be -1 in fep file in
order to obtain correct value for delta<g>?
or please describe some method to generate topology file for a unique
structure, such as topology file that exist in tutorial (zero.top).
best regards,
soroush
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