Updated changelog, added minimization-only version binaries

diff --git a/Changelog b/Changelog
index fdcb354..b84d319 100644 (file)
--- a/Changelog
+++ b/Changelog
@@ -3,3 +3,4 @@
 
 2012-04-03: hotfixes and examples added
 
+2014-12-11: Version 3.2.1 released. Sidecain-backbone torsionals introduced for the GAB and E0L2Y force fields. A number of bugs fixed, manuals revised. Minimization alone added (directory src_MIN and MINIM in the bin subdirectory)

diff --git a/bin/unres/MINIM/unres_gfortran_MIN_single_4P.exe b/bin/unres/MINIM/unres_gfortran_MIN_single_4P.exe
new file mode 100755 (executable)
index 0000000..8da40c1
Binary files /dev/null and b/bin/unres/MINIM/unres_gfortran_MIN_single_4P.exe differ

diff --git a/bin/unres/MINIM/unres_gfortran_MIN_single_E0LL2Y.exe b/bin/unres/MINIM/unres_gfortran_MIN_single_E0LL2Y.exe
new file mode 100755 (executable)
index 0000000..e89f2e0
Binary files /dev/null and b/bin/unres/MINIM/unres_gfortran_MIN_single_E0LL2Y.exe differ

diff --git a/bin/unres/MINIM/unres_gfortran_MIN_single_GAB.exe b/bin/unres/MINIM/unres_gfortran_MIN_single_GAB.exe
new file mode 100755 (executable)
index 0000000..2c52556
Binary files /dev/null and b/bin/unres/MINIM/unres_gfortran_MIN_single_GAB.exe differ

diff --git a/bin/unres/MINIM/unres_ifort_MIN_single_4P.exe b/bin/unres/MINIM/unres_ifort_MIN_single_4P.exe
new file mode 100755 (executable)
index 0000000..5ddcc5d
Binary files /dev/null and b/bin/unres/MINIM/unres_ifort_MIN_single_4P.exe differ

diff --git a/bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe b/bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe
new file mode 100755 (executable)
index 0000000..23372d3
Binary files /dev/null and b/bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe differ

diff --git a/bin/unres/MINIM/unres_ifort_MIN_single_GAB.exe b/bin/unres/MINIM/unres_ifort_MIN_single_GAB.exe
new file mode 100755 (executable)
index 0000000..8fbedcf
Binary files /dev/null and b/bin/unres/MINIM/unres_ifort_MIN_single_GAB.exe differ

diff --git a/source/unres/src_MIN/Makefile_gfortran_single b/source/unres/src_MIN/Makefile_gfortran_single
index 4451733..39edc5e 100644 (file)
--- a/source/unres/src_MIN/Makefile_gfortran_single
+++ b/source/unres/src_MIN/Makefile_gfortran_single
@@ -30,11 +30,11 @@ object = unres_min.o arcos.o cartprint.o chainbuild.o initialize_p.o \
         cored.o rmdd.o geomout_min.o readpdb.o \
         intcartderiv.o \
         MP.o printmat.o convert.o int_to_cart.o \
-       djacob.o gen_rand_conf.o sc_move.o
+       djacob.o gen_rand_conf.o sc_move.o refsys.o
 
 no_option:
 
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DISNAN \
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DUNRES -DISNAN \
        -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
 GAB: BIN = ../../../bin/unres/MINIM/unres_gfortran_MIN_single_GAB.exe
 GAB: ${object} 
@@ -43,7 +43,7 @@ GAB: ${object}
        ${FC} ${FFLAGS} cinfo.f
        ${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
 
-4P: CPPFLAGS = -DLINUX -DUNRES -DISNAN \
+4P: CPPFLAGS = -DLINUX -DUNRES -DG77 -DISNAN \
        -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
 4P: BIN = ../../../bin/unres/MINIM/unres_gfortran_MIN_single_4P.exe
 4P: ${object} 
@@ -52,7 +52,7 @@ GAB: ${object}
        ${FC} ${FFLAGS} cinfo.f
        ${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
 
-E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DISNAN \
+E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DUNRES -DISNAN \
        -DSPLITELE -DLANG0
 E0LL2Y: BIN = ../../../bin/unres/MINIM/unres_gfortran_MIN_single_E0LL2Y.exe
 E0LL2Y: ${object}