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=9416d518c2ffb6520876ff2786a176cc68856e7a;hb=5a8c1962b1eafdefe5001ce9207372e68d31960a;hp=0000000000000000000000000000000000000000;hpb=ee9b6d7c3bd62a81233e4589fa26a3641622262f;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
new file mode 100755
index 0000000..9416d51
--- /dev/null
+++ b/examples/unres/new/REMD/Langevin/ff_gab/unres.csh
@@ -0,0 +1,25 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX  1L2Y_REMD
+setenv OUT1FILE YES
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN /users/czarek/UNRES/export_v3/bin/unres_120111_mpich1_oldparm.exe
+#-----------------------------------------------------------------------------
+setenv DD /users/czarek/UNRES/export_v3/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 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 $*