2 # Script to run the program unresCSA on linux with MPICH/PBS (parallel version).
6 setenv PREFIX T0149C_dihc
9 set BIN = $HOME/UNRES/NEW/bin/unres_ifc6.exe
10 #---------------------------------
11 setenv THETPAR $DD/thetaml.5parm
12 setenv ROTPAR $DD/scgauss.parm
13 setenv TORPAR $DD/torsion_631Gdp.parm
14 setenv TORDPAR $DD/torsion_double_631Gdp.parm
15 setenv ELEPAR $DD/electr_631Gdp.parm
16 setenv SIDEPAR $DD/scinter_$POT.parm
17 setenv FOURIER $DD/fourier_opt.parm.1igd_iter7n_c
18 setenv SCPPAR $DD/scp.parm
21 setenv PATTERN $DD/patterns.cart
22 #--------------------------------------------