From: Adam Liwo <adam@piasek4.chem.univ.gda.pl>
Date: Thu, 11 Dec 2014 14:36:04 +0000 (+0100)
Subject: Updated changelog, added minimization-only version binaries
X-Git-Tag: v.3.2.1~1
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=49f0ae4ed5ade179dffe05000b48bd04bc46b214

Updated changelog, added minimization-only version binaries
---

diff --git a/Changelog b/Changelog
index fdcb354..b84d319 100644
--- 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
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
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
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
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
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
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
--- 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}