X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_1l2y_1le1%2Funres.csh;fp=examples%2Funres%2FMD%2Fff_1l2y_1le1%2Funres.csh;h=0000000000000000000000000000000000000000;hp=b69880a867af7f768eb1c9d5a0f2e0b3f99dcfad;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/ff_1l2y_1le1/unres.csh b/examples/unres/MD/ff_1l2y_1le1/unres.csh deleted file mode 100755 index b69880a..0000000 --- a/examples/unres/MD/ff_1l2y_1le1/unres.csh +++ /dev/null @@ -1,25 +0,0 @@ -#!/bin/csh -setenv FGPROCS 1 -setenv POT GB -setenv PREFIX 1L2Y_lang -setenv OUT1FILE NO -#----------------------------------------------------------------------------- -setenv UNRES_BIN /users/adam/MEY_MD/bin/unres_Tc_procor_em64-finegrain-2.exe -#----------------------------------------------------------------------------- -setenv DD /users/adam/UNRES/PARAM -setenv BONDPAR $DD/bond_AM1.parm -setenv THETPAR $DD/theta_abinitio.parm -setenv ROTPARPDB $DD/scgauss.parm -setenv ROTPAR $DD/rotamers_AM1_aura.10022007.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 $DD/patterns.cart -#setenv PRINT_PARM YES -#----------------------------------------------------------------------------- - -$UNRES_BIN $*