Merge branch 'prerelease-3.2.1'

Conflicts:
	bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
	bin/wham/wham-mult_ifort_MPICH-GAB.exe
	source/cluster/unres/src/arcos.f
	source/cluster/wham/src-M/arcos.f
	source/cluster/wham/src/arcos.f
	source/wham/src-M/arcos.f
	source/wham/src/arcos.f
	source/xdrfpdb/src-M/arcos.f
	source/xdrfpdb/src/arcos.f

diff --combined CMakeLists.txt
index 699a92a,2ee17e3..ce545e5
--- 1/CMakeLists.txt
--- 2/CMakeLists.txt
+++ b/CMakeLists.txt
@@@ -7,7 -7,7 +7,7 @@@ project(UNRESPACK Fortran C
  
  set(UNRES_MAJOR 3)
  set(UNRES_MINOR 2)
--set(UNRES_PATCH 1)
++set(UNRES_PATCH 2)
  set(UNRES_VERSION ${UNRES_MAJOR}.${UNRES_MINOR}.${UNRES_PATCH})
  
  #======================================
@@@ -116,7 -116,7 +116,7 @@@ set(CMAKE_INSTALL_PREFIX "${CMAKE_SOURC
  
  # Set force field
  if (NOT UNRES_FF)
--  set(UNRES_MD_FF "GAB" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
++  set(UNRES_MD_FF "E0LL2Y" CACHE STRING "Choose the force field, options are: GAB E0LL2Y" )
    set_property(CACHE UNRES_MD_FF PROPERTY STRINGS "GAB" "E0LL2Y")
  endif (NOT UNRES_FF)
  
@@@ -144,6 -144,12 +144,12 @@@ find_package(MPI QUIET
  if (MPI_Fortran_FOUND)
    message("MPI found")
    FIX_DBL_INCLUDE(MPI_Fortran_INCLUDE_PATH)
+   message(MPI_Fortran_INCLUDE_PATH)
+   message(${MPI_Fortran_INCLUDE_PATH})
+   message(MPI_Fortran_LIBRARIES)
+   message(${MPI_Fortran_LIBRARIES})
+   option(UNRES_SRUN "Use srun instead of mpiexec ?" OFF )
+   option(UNRES_MPIRUN "Use mpirun instead of mpiexec ?" OFF )
  else()
    message("MPI not found - disabling MPI compile flags ")
    set ( UNRES_WITH_MPI "OFF")

diff --combined bin/cluster/cluster_unres_ifort.exe
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diff --combined bin/cluster/cluster_wham-mult_ifort_MPI_4P.exe
index 0000000,0000000..e562a7c
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diff --combined bin/cluster/cluster_wham-mult_ifort_MPI_E0LL2Y.exe
index 0000000,0000000..5b03fc6
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diff --combined bin/cluster/cluster_wham-mult_ifort_MPI_GAB.exe
index 0000000,0000000..c689c2d
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diff --combined bin/cluster/cluster_wham_ifort_MPI_4P.exe
index 0000000,0000000..ce2e038
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diff --combined bin/cluster/cluster_wham_ifort_MPI_E0LL2Y.exe
index 0000000,0000000..56879dc
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diff --combined bin/cluster/cluster_wham_ifort_MPI_GAB.exe
index 0000000,0000000..353b354
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diff --combined bin/unres/CSA/unresCSA_ifort_MPI_4P.exe
index 0000000,0000000..bcf87b5
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diff --combined bin/unres/CSA/unresCSA_ifort_MPI_E0LL2Y.exe
index 0000000,0000000..671aa3c
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diff --combined bin/unres/CSA/unresCSA_ifort_MPI_GAB.exe
index 0000000,0000000..dc845ac
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diff --combined bin/unres/MD/unresMD-mult_ifort_MPI_4P.exe
index 0000000,0000000..818b31d
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diff --combined bin/unres/MD/unresMD-mult_ifort_MPI_E0LL2Y.exe
index 0000000,0000000..08a0058
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diff --combined bin/unres/MD/unresMD-mult_ifort_MPI_GAB.exe
index 0000000,0000000..6743f73
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diff --combined bin/unres/MD/unresMD_ifort_MPI_4P.exe
index 0000000,0000000..abce46e
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diff --combined bin/unres/MD/unresMD_ifort_MPI_E0LL2Y.exe
index 0000000,0000000..893050c
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diff --combined bin/unres/MD/unresMD_ifort_MPI_GAB.exe
index 0000000,0000000..ed65c45
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diff --combined bin/unres/MD/unres_E0LL2Y.csh
index 386c7bc,386c7bc..e61924f
--- 1/bin/unres/MD/unres_E0LL2Y.csh
--- 2/bin/unres/MD/unres_E0LL2Y.csh
+++ b/bin/unres/MD/unres_E0LL2Y.csh
@@@ -4,7 -4,7 +4,7 @@@ setenv POT G
  setenv PREFIX 1DKZ-ber-MREMD
  setenv OUT1FILE NO
  #-----------------------------------------------------------------------------
--setenv UNRES_BIN unres_ifort_MPICH_E0LL2Y.exe
++setenv UNRES_BIN unresMD_ifort_MPI_E0LL2Y.exe
  #-----------------------------------------------------------------------------
  setenv DD /users/adam/UNRES/PARAM
  setenv BONDPAR $DD/bond.parm

diff --combined bin/unres/MINIM/unres_ifort_MIN_single_4P.exe
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diff --combined bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe
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diff --combined bin/wham/wham-mult_ifort_MPI_4P.exe
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diff --combined bin/wham/wham_ifort_MPI_GAB.exe
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