Next you must do this
parmchk2 -i bg6.in -f prepi -o bg6.frcmod
Best Regards
Elvis Martis
________________________________
From: Sadaf Rani <sadafrani6.gmail.com>
Sent: 01 July 2019 16:09
To: AMBER Mailing List
Subject: [AMBER] RESP charge calculation
Dear Amber users
I am trying to calculate RESP charges for my ligand by method as mentioned
in following link:-
http://signe.teokem.lu.se/~ulf/Methods/resp.html
when I am using this command
antechamber -fi gout -fo prepi -c resp -i BG6.out -o bg6.in -rn BG6 -pf y
(BG6 is the ligand here)
I get following files:
bg6.in, esout, qout and QOUT
what to do further is not very clear
Can any body suggest me?
thank you
Sadaf
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Received on Mon Jul 01 2019 - 04:30:02 PDT
