X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FMD%2FMultichain%2Funres.csh;fp=examples%2Funres%2FMD%2FMultichain%2Funres.csh;h=a8aa9547e96fc3e7c954852cad22658b26cb8cf5;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=0000000000000000000000000000000000000000;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/examples/unres/MD/Multichain/unres.csh b/examples/unres/MD/Multichain/unres.csh
new file mode 100755
index 0000000..a8aa954
--- /dev/null
+++ b/examples/unres/MD/Multichain/unres.csh
@@ -0,0 +1,26 @@
+#!/bin/csh -f
+setenv UNRESROOT /users/adam/unres
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX 1DKZ-gab-ber
+setenv OUT1FILE YES
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN ${UNRESROOT}/bin/unres/MD/unres_Tc_procor_oldparm_em64-D-symetr.exe
+#-----------------------------------------------------------------------------
+setenv DD ${UNRESROOT}/PARAM
+setenv BONDPAR $DD/bond.parm
+setenv THETPAR $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/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/rotcorr_AM1.parm
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+#setenv PRINT_PARM YES
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*