AMBER Archive (2009)
Subject: [AMBER] resp charge
From: R. A. (rabedi72_at_mail.com)
I m using tutorial A1 for deriving charge. I optimized my structure using GAMESS-US. Now I m trying to calculate ESP using the esp.sh which is in the tutorial but the command doesnt work for my system as I dont have XL fortran. I m using linux with f77. Any suggestion or idea to modify this scripts for my usage. I m new in programming and I ll be appreciated any help. Thank you so much in advance.
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