X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCMakeLists.txt;h=568af70789181dc1ba1f1501e1705ef221991e52;hb=adbdde721155499f92e80e5e6cee0b5d9723a65a;hp=1f426229236187db1c7c505ccc2d84766fd5928b;hpb=f61bf2dd53924f54753f727a88388c8dae58b112;p=unres.git

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index 1f42622..568af70 100644
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -298,7 +298,7 @@ target_link_libraries( UNRES_BIN-MD xdrf )
 #  test_single_ala.sh
 #=========================================
 
-FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_single_ala.sh
 "#!/bin/sh
 export POT=GB
 export PREFIX=ala10
@@ -321,6 +321,16 @@ export PATTERN=$DD/patterns.cart
 $UNRES_BIN
 ")
 
+#
+# File permissions workaround
+#
+FILE(	COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_single_ala.sh 
+	DESTINATION ${CMAKE_CURRENT_BINARY_DIR}
+	FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
+)
+
+
+
 #=========================================
 #  ala10.inp
 #=========================================
@@ -329,7 +339,7 @@ file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/ala10.inp
 "ala10 unblocked
 SEED=-1111333 MD ONE_LETTER rescale_mode=2 PDBOUT
 nstep=15000 ntwe=100 ntwx=1000 dt=0.1 lang=0 tbf t_bath=300 damax=1.0          &
-reset_moment=1000 reset_vel=1000 MDPDB
+reset_moment=1000 reset_vel=1000
 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
 WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
 WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
@@ -358,6 +368,7 @@ if(NOT UNRES_WITH_MPI)
 
 else(NOT UNRES_WITH_MPI)
 
+
   add_test(NAME UNRES_MD_MPI_Ala10 COMMAND mpirun -np 1 ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
 
 endif(NOT UNRES_WITH_MPI)