wham maxsym=10

diff --git a/source/wham/src-M/DIMENSIONS b/source/wham/src-M/DIMENSIONS
index 2fe913c..12eb195 100644 (file)
--- a/source/wham/src-M/DIMENSIONS
+++ b/source/wham/src-M/DIMENSIONS
@@ -20,7 +20,7 @@ C Appr. max. number of interaction sites
       parameter (maxres2=2*maxres)
 C Max number of symetries
        integer maxsym,maxperm
-       parameter (maxsym=5,maxperm=120)
+       parameter (maxsym=10,maxperm=120)
 C Max. number of variables
       integer maxvar
       parameter (maxvar=4*maxres)

diff --git a/source/wham/src-M/Makefile_MPICH_ifort b/source/wham/src-M/Makefile_MPICH_ifort
index 350b80e..671293e 100644 (file)
--- a/source/wham/src-M/Makefile_MPICH_ifort
+++ b/source/wham/src-M/Makefile_MPICH_ifort
@@ -1,9 +1,9 @@
 #INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
 INSTALL_DIR = /users2/local/mpich2-1.4.1p1_intel
-BIN = ../../../bin/wham
+BIN = ./
 FC= ifort
-OPT = -mcmodel=medium -O3 -ip -w 
-#OPT = -mcmodel=medium -g -CB -ip -w
+#OPT = -mcmodel=medium -O3 -ip -w 
+OPT = -mcmodel=medium -g -CB -ip -w
 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lmpl xdrf/libxdrf.a