X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2FCMakeLists.txt;h=1d2668fe928b5f3aabd8c5235ccca3031b0a70bc;hb=147d86ad190bc360fa4b0c9a4c7d6858070c506f;hp=fabee5febfa526b036a12223ff4e26f9e3e60f2b;hpb=e37f70b1095e1599ae2765a45a8955e7b43ac267;p=unres.git

diff --git a/source/unres/src_MD-M/CMakeLists.txt b/source/unres/src_MD-M/CMakeLists.txt
index fabee5f..1d2668f 100644
--- a/source/unres/src_MD-M/CMakeLists.txt
+++ b/source/unres/src_MD-M/CMakeLists.txt
@@ -439,6 +439,12 @@ FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Y.pdb
 FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Y_remd.inp
         DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
 
+FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1ei0_min.inp
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
+FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1ei0.pdb
+        DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
+
 FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1dkz_cut.pdb
         DESTINATION ${CMAKE_CURRENT_BINARY_DIR} )
 
@@ -574,7 +580,7 @@ export PATTERN=$DD/patterns.cart
 export LIPTRANPAR=$DD/Lip_tran_initial_ext.parm
 #-----------------------------------------------------------------------------
 echo CTEST_FULL_OUTPUT
-${mpiexec} ${boot_lam} ${np} $3 $UNRES_BIN | grep -v traj1file
+${mpiexec} ${boot_lam} ${np} $3 $UNRES_BIN | grep -v traj1file |grep -v "NaN       NaN       NaN"
 ./prota_unres_energy_check_mult.sh $1 ${UNRES_BIN}
 ")