rename

[unres4.git] / source / cluster / CMakeLists.txt

diff --git a/source/cluster/CMakeLists.txt b/source/cluster/CMakeLists.txt
index 7f814c1..0281f62 100644 (file)
--- a/source/cluster/CMakeLists.txt
+++ b/source/cluster/CMakeLists.txt
@@ -8,36 +8,36 @@ enable_language (Fortran)
 # Set source file lists
 #================================
 set(UNRES_CLUSTER_WHAM_SRC0 
- clust_data.f90
- ../wham/wham_data.f90
- ../unres/data/names.f90
- ../unres/data/io_units.f90
- ../unres/data/calc_data.f90
- ../unres/data/compare_data.f90
- ../unres/data/control_data.f90
- ../unres/data/energy_data.f90
- ../unres/data/geometry_data.f90
- ../unres/data/map_data.f90
- ../unres/data/MCM_data.f90
- ../unres/data/MD_data.f90
- ../unres/data/minim_data.f90
- ../unres/data/MPI_data.f90
- ../unres/data/comm_local.f90
- ../unres/math.f90
- ../unres/geometry.f90
- ../unres/io_base.f90
- ../unres/energy.f90
+ clust_data.F90
+ ../wham/wham_data.F90
+ ../unres/data/names.F90
+ ../unres/data/io_units.F90
+ ../unres/data/calc_data.F90
+ ../unres/data/compare_data.F90
+ ../unres/data/control_data.F90
+ ../unres/data/energy_data.F90
+ ../unres/data/geometry_data.F90
+ ../unres/data/map_data.F90
+ ../unres/data/MCM_data.F90
+ ../unres/data/MD_data.F90
+ ../unres/data/minim_data.F90
+ ../unres/data/MPI_data.F90
+ ../unres/data/comm_local.F90
+ ../unres/math.F90
+ ../unres/geometry.F90
+ ../unres/io_base.F90
+ ../unres/energy.F90
  ../unres/control.F90
- ../unres/io_config.f90
- ../unres/regularize.f90
- ../wham/io_wham.f90
- ../wham/conform_compar.f90
- ../wham/work_partition.f90
- probabl.f90
- track.f90
- hc.f90
- io_clust.f90
- cluster.f90
+ ../unres/io_config.F90
+ ../unres/regularize.F90
+ ../wham/io_wham.F90
+ ../wham/conform_compar.F90
+ ../wham/work_partition.F90
+ probabl.F90
+ track.F90
+ hc.F90
+ io_clust.F90
+ cluster.F90
 )
 
 
@@ -199,23 +199,22 @@ export PRINTCOOR=PRINT_PDB
 CLUSTER_WHAM_BIN=${CMAKE_BINARY_DIR}/bin/${UNRES_CLUSTER_WHAM_BIN}
 #-----------------------------------------------------------------------------
 DD=${CMAKE_SOURCE_DIR}/PARAM
-export BONDPAR=$DD/bond_AM1_ext.parm
-export THETPAR=$DD/theta_abinitio_old_ext.parm
-export THETPARPDB=$DD/thetaml_ext.5parm
-export ROTPARPDB=$DD/scgauss_ext.parm
-export ROTPAR=$DD/rotamers_AM1_aura_ext.10022007.parm
-export TORPAR=$DD/torsion_631Gdp_old_ext.parm
-export TORDPAR=$DD/torsion_double_631Gdp_old_ext.parm
-export ELEPAR=$DD/electr_631Gdp_ext.parm
-export SIDEPAR=$DD/scinter_GB_ext.parm
-export FOURIER=$DD/fourier_opt_ext.parm.1igd_hc_iter3_3
-export SCCORPAR=$DD/sccor_am1_pawel_ext.dat
-export SCPPAR=$DD/scp_ext.parm
+export BONDPAR=$DD/bond_AM1.parm
+export THETPAR=$DD/theta_abinitio.parm
+export ROTPAR=$DD/rotamers_AM1_aura.10022007.parm
+export TORPAR=$DD/torsion_631Gdp.parm
+export TORDPAR=$DD/torsion_double_631Gdp.parm
+export ELEPAR=$DD/electr_631Gdp.parm
+export SIDEPAR=$DD/scinter_$POT.parm
+export FOURIER=$DD/fourier_opt.parm.1igd_hc_iter3_3
+export SCPPAR=$DD/scp.parm
+export SCCORPAR=$DD/sccor_am1_pawel.dat
+export THETPARPDB=$DD/thetaml.5parm
+export ROTPARPDB=$DD/scgauss.parm
 export PATTERN=$DD/patterns.cart
 export CONTFUNC=GB
-export SIDEP=$DD/contact_ext.3.parm
+export SIDEP=$DD/contact.3.parm
 export SCRATCHDIR=.
-
 #-----------------------------------------------------------------------------
 echo CTEST_FULL_OUTPUT
 ${mpiexec} ${boot_lam} ${np} $2 $CLUSTER_WHAM_BIN