X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2Fff_1l2y_1le1%2FMREMD%2Funres.csh;h=4d31ae50881c62c3ba458cff0231fec2cd9a0058;hb=d2820032977a452e246daf616d04f0da25cb6e51;hp=b6c0c271ec36ae21c7b8ec26ccfa6229b5fa7886;hpb=68923111d906210c48e2e03a97598fecd3ebd240;p=unres.git

diff --git a/examples/unres/MD/ff_1l2y_1le1/MREMD/unres.csh b/examples/unres/MD/ff_1l2y_1le1/MREMD/unres.csh
index b6c0c27..4d31ae5 100755
--- a/examples/unres/MD/ff_1l2y_1le1/MREMD/unres.csh
+++ b/examples/unres/MD/ff_1l2y_1le1/MREMD/unres.csh
@@ -4,13 +4,14 @@ setenv POT GB
 setenv PREFIX 1L2Y_MREMD
 setenv OUT1FILE NO
 #-----------------------------------------------------------------------------
-setenv UNRES_BIN ../../../bin/unres_Tc_procor_new_em64_nh_hremd_92110.exe
+setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 #-----------------------------------------------------------------------------
-setenv DD ../../../PARAM
+setenv DD /users/adam/unres/PARAM
 setenv BONDPAR $DD/bond_AM1.parm
 setenv THETPAR $DD/theta_abinitio.parm
-setenv ROTPARPDB $DD/scgauss.parm
+setenv THETPARPDB $DD/thetaml.5parm
 setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm
+setenv ROTPARPDB $DD/scgauss.parm
 setenv TORPAR $DD/torsion_631Gdp.parm
 setenv TORDPAR $DD/torsion_double_631Gdp.parm
 setenv ELEPAR $DD/electr_631Gdp.parm