X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMD%2FNVE%2Funres.csh;fp=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMD%2FNVE%2Funres.csh;h=0000000000000000000000000000000000000000;hp=b0f3da1d530cb06ddfa111d427ad5ecc3449845a;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/MD/ff_1l2y_1le1/MD/NVE/unres.csh b/examples/unres/MD/ff_1l2y_1le1/MD/NVE/unres.csh deleted file mode 100755 index b0f3da1..0000000 --- a/examples/unres/MD/ff_1l2y_1le1/MD/NVE/unres.csh +++ /dev/null @@ -1,25 +0,0 @@ -#!/bin/csh -setenv FGPROCS 1 -setenv POT GB -setenv PREFIX 1L2Y_NVE -setenv OUT1FILE NO -#----------------------------------------------------------------------------- -setenv UNRES_BIN ../../../../bin/unres_Tc_procor_new_em64_nh_hremd_92110.exe -#----------------------------------------------------------------------------- -setenv DD ../../../../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 $DD/patterns.cart -setenv PRINT_PARM NO -#----------------------------------------------------------------------------- - -$UNRES_BIN $*