2 # Script to run the program unresCSA on linux with MPICH/PBS (parallel version).
4 # This example script pertains to the CASP5 force field (see section 4 of the
7 # The GB potentials is used with the CASP5 force field; DO NOT change the line below.
10 # The line below defines the system-specific input file; the example is for 1IGD.
11 setenv PREFIX 1fsd_CASP5
13 # Define the location of UNRES parameter file and binaries directory.
14 set DD = /users/adam/UNRES/PARAM
15 set BIN = /users/czarek/UNRES/NEW/bin
16 #---------------------------------
17 setenv THETPAR $DD/thetaml.5parm
18 setenv ROTPAR $DD/scgauss.parm
19 setenv TORPAR $DD/torsion_631Gdp.parm
20 setenv TORDPAR $DD/torsion_double_631Gdp.parm
21 setenv ELEPAR $DD/electr_631Gdp.parm
22 setenv SIDEPAR $DD/scinter_GB.parm
23 setenv FOURIER $DD/fourier_opt.parm.1igd_iter7n_c
24 setenv SCPPAR $DD/scp.parm
27 setenv PATTERN $DD/patterns.cart
28 #--------------------------------------------
34 $BIN/unres_pgf90.exe $*
36 if ("$3" != "-p4amslave") then
40 find . -size 0 -exec rm {} \;