# amsol.con
Executable = /raid1/people/joha/dockenv/3rdparty/openeye/openeye/bin/omega
arguments = -param omega_07.param -ringlib ringlib_no.txt -torlib torlib_zinc.txt -in /raid0/people/joha/DB2/3_AMSOL2/amsol2/test.mol2 -out test_omega.mol2
Rank = KFlops
Universe = Vanilla
#set same environement as in shell from where the job is submitted
getenv=true
Output = stdout
Initialdir = $(PWD)
#Log = /tmp/jji
Error = stderr
Notification = NEVER
Queue