Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MD / ff_gab / unres_single.sh

diff --git a/examples/unres/MD/ff_gab/unres_single.sh b/examples/unres/MD/ff_gab/unres_single.sh
deleted file mode 100755 (executable)
index 0576f87..0000000
--- a/examples/unres/MD/ff_gab/unres_single.sh
+++ /dev/null
@@ -1,20 +0,0 @@
-#!/bin/sh
-export POT=$1
-export PREFIX=$2
-#-----------------------------------------------------------------------------
-UNRES_BIN=../../../../bin/unres/MD/unres_ifort_single_GAB.exe
-#-----------------------------------------------------------------------------
-DD=../../../../PARAM
-export BONDPAR=$DD/bond.parm
-export THETPAR=$DD/thetaml.5parm
-export ROTPAR=$DD/scgauss.parm
-export TORPAR=$DD/torsion_631Gdp.parm
-export TORDPAR=$DD/torsion_double_631Gdp.parm
-export ELEPAR=$DD/electr_631Gdp.parm
-export SIDEPAR=$DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
-export FOURIER=$DD/fourier_opt.parm.1igd_hc_iter3_3
-export SCPPAR=$DD/scp.parm
-export SCCORPAR=$DD/rotcorr_AM1.parm
-export PATTERN=$DD/patterns.cart
-#-----------------------------------------------------------------------------
-$UNRES_BIN