X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FDYN_SS%2Fhth%2Funres_eval.csh;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FDYN_SS%2Fhth%2Funres_eval.csh;h=0000000000000000000000000000000000000000;hp=787be7fc1fba7e19132cd9eb5458757f1122d97f;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/unres_eval.csh b/examples/unres/new/microcanonical/DYN_SS/hth/unres_eval.csh deleted file mode 100755 index 787be7f..0000000 --- a/examples/unres/new/microcanonical/DYN_SS/hth/unres_eval.csh +++ /dev/null @@ -1,24 +0,0 @@ -#!/bin/csh -setenv FGPROCS 1 -setenv POT GB -setenv PREFIX small -setenv OUT1FILE NO -#----------------------------------------------------------------------------- -setenv UNRES_BIN /users/czarek/UNRES/GIT/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -#----------------------------------------------------------------------------- -setenv DD /users/czarek/UNRES/GIT/unres/PARAM -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.1gab_3S_qclass5no310-shan2-sc-16-10-8k -setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -setenv SCCORPAR $DD/sccor_pdb_shelly.dat -setenv SCPPAR $DD/scp.parm -setenv PATTERN $DD/patterns.cart -setenv PRINT_PARM NO -#----------------------------------------------------------------------------- - -$UNRES_BIN $*