X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_1l2y%2Funres.csh;fp=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_1l2y%2Funres.csh;h=0000000000000000000000000000000000000000;hp=c8394f945d8e4968c930706b79f5b22669eac5e1;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/unres.csh b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/unres.csh
deleted file mode 100755
index c8394f9..0000000
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/unres.csh
+++ /dev/null
@@ -1,31 +0,0 @@
-#!/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_newparm.exe
-#setenv UNRES_BIN /users/pk376/unres3/master/bin/unres/MD/unres_MD_Tc-pgf90.exe
-#setenv UNRES_BIN /users/adam/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
-setenv UNRES_BIN /users/pk376/unres-git/unres/bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
-#-----------------------------------------------------------------------------
-#setenv DD /users/czarek/UNRES/export_v3/PARAM
-#setenv DD /users/aks255/newUNRES/unres/PARAM
-setenv DD /users/pk376/unres-git/unres/PARAM
-setenv BONDPAR $DD/bond_AM1.parm
-setenv THETPAR $DD/theta_abinitio.parm
-setenv THETPARPDB $DD/thetaml.5parm
-setenv ROTPARPDB $DD/scgauss.parm
-setenv ROTPAR $DD/rotamers_AM1_aura.10022007.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 SCCORPAR $DD/sccor_pdb_shelly.dat
-setenv SCPPAR $DD/scp.parm
-setenv PATTERN $DD/patterns.cart
-setenv PRINT_PARM NO
-#-----------------------------------------------------------------------------
-$UNRES_BIN $*