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 ${CMAKE_CURRENT_BINARY_DIR} )
export LIPTRANPAR=$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}
")