X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FE0LL2Y%2Funres.csh;fp=examples%2Funres%2FCSA%2FE0LL2Y%2Funres.csh;h=0000000000000000000000000000000000000000;hb=c5370e6422f68c03f5801e5e8b127a5ba478695b;hp=71a38f799435c89c670ff8abf53e745ed89ca2d1;hpb=866c6bb3445c32af6d43b6eea1c565ae7d78e7f2;p=unres.git diff --git a/examples/unres/CSA/E0LL2Y/unres.csh b/examples/unres/CSA/E0LL2Y/unres.csh deleted file mode 100755 index 71a38f7..0000000 --- a/examples/unres/CSA/E0LL2Y/unres.csh +++ /dev/null @@ -1,27 +0,0 @@ -#!/bin/csh -f - -setenv FGPROCS 1 -setenv POT GB -setenv PREFIX 1l2y_csa -setenv OUT1FILE NO -#----------------------------------------------------------------------------- -setenv UNRES_BIN /users/bartek/UNRESPACK/unres/bin/unres/CSA/unres_dfa_csa-Yi.exe -#----------------------------------------------------------------------------- -setenv DD /users/bartek/UNRESPACK/unres/PARAM -setenv BONDPAR $DD/bond_AM1.parm -setenv THETPAR $DD/theta_abinitio.parm -setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm -setenv THETPARPDB $DD/thetaml.5parm -setenv ROTPARPDB $DD/scgauss.parm -setenv TORPAR $DD/torsion_631Gdp.parm -setenv TORDPAR $DD/torsion_double_631Gdp.parm -setenv ELEPAR $DD/electr_631Gdp.parm -setenv SIDEPAR $DD/scinter_${POT}.parm -setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -setenv SCCORPAR $DD/rotcorr_AM1.parm -setenv SCPPAR $DD/scp.parm -setenv PATTERN $DD/patterns.cart -setenv PRINT_PARM NO -#----------------------------------------------------------------------------- - -$UNRES_BIN $*