#!/bin/csh
#
# rungms Acetate 00 1 > Acetate-GAMESS.log
# rungms executes the "Acetate.inp" input; the gamess binary used is "gamess.00.x"; the number of cpu used is "1". 
#
mkdir 2-Geom-Opt
cp 1-Ante-RED/*.inp 2-Geom-Opt
cd 2-Geom-Opt
rungms Acetate 00 1 > Acetate-GAMESS.log
rungms Methylammonium 00 1 > Methylammonium-GAMESS.log
rungms AIB-ConfA 00 1 > AIB-ConfA-GAMESS.log
rungms AIB-ConfE 00 1 > AIB-ConfE-GAMESS.log
cd ..
echo " GAMESS QM geometry optimization job done... "
