X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2FMultichain%2Funres.csh;fp=examples%2Funres%2FMD%2FMultichain%2Funres.csh;h=0000000000000000000000000000000000000000;hp=a8aa9547e96fc3e7c954852cad22658b26cb8cf5;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/Multichain/unres.csh b/examples/unres/MD/Multichain/unres.csh deleted file mode 100755 index a8aa954..0000000 --- a/examples/unres/MD/Multichain/unres.csh +++ /dev/null @@ -1,26 +0,0 @@ -#!/bin/csh -f -setenv UNRESROOT /users/adam/unres -setenv FGPROCS 1 -setenv POT GB -setenv PREFIX 1DKZ-gab-ber -setenv OUT1FILE YES -#----------------------------------------------------------------------------- -setenv UNRES_BIN ${UNRESROOT}/bin/unres/MD/unres_Tc_procor_oldparm_em64-D-symetr.exe -#----------------------------------------------------------------------------- -setenv DD ${UNRESROOT}/PARAM -setenv BONDPAR $DD/bond.parm -setenv THETPAR $DD/thetaml.5parm -setenv ROTPARPDB $DD/scgauss.parm -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/rotcorr_AM1.parm -setenv SCPPAR $DD/scp.parm -setenv PATTERN $DD/patterns.cart -#setenv PRINT_PARM YES -#----------------------------------------------------------------------------- - -$UNRES_BIN $*