Dear all,
I am looking into the example for RESP Charge fitting for bis-napthy, I would like to know how the bis_1.in
and bis_2.in were generated ...
it is very tedious for a multiconformational charge fitting to generate as many input files --
any tools out there
Many thanks
Fatima
/usr/local/amber14/AmberTools/examples/resp_charge_fit/bis-napthyl
bis_1_calc.esp bis_1.in bis_1.pch bis_2.in bis_2.pch Run.resp
bis_1.chg bis_1.out bis_2.chg bis_2.out bis_esp.dat
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Received on Thu Sep 03 2015 - 11:30:03 PDT
