X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2FLangevin%2Fff_gab%2Funres.csh;fp=examples%2Funres%2Fnew%2FREMD%2FLangevin%2Fff_gab%2Funres.csh;h=0000000000000000000000000000000000000000;hp=bf4dafea9ef5c32f772c39be15eb7675358ae27a;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/REMD/Langevin/ff_gab/unres.csh b/examples/unres/new/REMD/Langevin/ff_gab/unres.csh deleted file mode 100755 index bf4dafe..0000000 --- a/examples/unres/new/REMD/Langevin/ff_gab/unres.csh +++ /dev/null @@ -1,24 +0,0 @@ -#!/bin/csh -f -setenv FGPROCS 1 -setenv POT GB -setenv PREFIX 1L2Y_REMD -setenv OUT1FILE YES -#----------------------------------------------------------------------------- -#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe -#----------------------------------------------------------------------------- -setenv DD /users/pk376/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.1e0g-52-17k-2k-newclass-shan1e9_gap8g-sc -setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 -#setenv SCCORPAR $DD/rotcorr_AM1.parm -setenv SCCORPAR $DD/sccor_pdb_shelly.dat -setenv SCPPAR $DD/scp.parm -setenv PATTERN $DD/patterns.cart -#----------------------------------------------------------------------------- -$UNRES_BIN $*