X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FENERGY%2Funres_4P.csh;fp=examples%2Funres%2FENERGY%2Funres_4P.csh;h=0000000000000000000000000000000000000000;hp=17d94211505951e1d63ddce1bdd21deb08e7bb57;hb=146d1178adc71d967a52adc479882027921b4221;hpb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef diff --git a/examples/unres/ENERGY/unres_4P.csh b/examples/unres/ENERGY/unres_4P.csh deleted file mode 100755 index 17d9421..0000000 --- a/examples/unres/ENERGY/unres_4P.csh +++ /dev/null @@ -1,27 +0,0 @@ -#!/bin/csh -f -# Script to run the program unresCSA on linux with MPICH/PBS (parallel version). -# - -setenv POT GB -setenv PREFIX 4P5_iter33_3_i3 - -set DD = /users/bartek/UNRESPACK/unres/PARAM -set BIN = /users/bartek/UNRESPACK/unres/bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe -#--------------------------------- -setenv BONDPAR $DD/bond.parm -setenv THETPAR $DD/thetaml.5parm -setenv ROTPAR $DD/scgauss.parm -setenv TORPAR $DD/torsion_631Gdp.parm -setenv TORDPAR $DD/torsion_double_631Gdp.parm -setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/sc_GB_opt.4P5_iter33_3r -setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -setenv SCCORPAR $DD/rotcorr_AM1.parm -setenv SCPPAR $DD/scp.parm - -# Pattern database -setenv PATTERN $DD/patterns.cart -#-------------------------------------------- - -$BIN -p4wd `pwd` -