X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2FLangevin%2Fff_gab%2Funres.csh;fp=examples%2Funres%2Fnew%2FREMD%2FLangevin%2Fff_gab%2Funres.csh;h=bf4dafea9ef5c32f772c39be15eb7675358ae27a;hb=a006e7a005da9177ff9a9eab77e5b15cfcfb9fda;hp=9416d518c2ffb6520876ff2786a176cc68856e7a;hpb=ed61b513686e36bded0e03e1e6e66d7d21d4981f;p=unres.git

diff --git a/examples/unres/new/REMD/Langevin/ff_gab/unres.csh b/examples/unres/new/REMD/Langevin/ff_gab/unres.csh
index 9416d51..bf4dafe 100755
--- a/examples/unres/new/REMD/Langevin/ff_gab/unres.csh
+++ b/examples/unres/new/REMD/Langevin/ff_gab/unres.csh
@@ -1,25 +1,24 @@
-#!/bin/csh
+#!/bin/csh -f
 setenv FGPROCS 1
 setenv POT GB
-setenv PREFIX  1L2Y_REMD
+setenv PREFIX 1L2Y_REMD
 setenv OUT1FILE YES
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_oldparm.exe
+#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/czarek/UNRES/export_v3/PARAM
+setenv DD /users/pk376/unres-git/unres/PARAM
 setenv BONDPAR $DD/bond.parm
 setenv THETPAR $DD/thetaml.5parm
-setenv THETPARPDB $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 $DD/scinter_${POT}.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/rotcorr_AM1.parm
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
 setenv SCPPAR $DD/scp.parm
 setenv PATTERN $DD/patterns.cart
-setenv PRINT_PARM NO
 #-----------------------------------------------------------------------------
 $UNRES_BIN $*