From: Adam Kazimierz Sieradzan <adasko@sun1.chem.univ.gda.pl>
Date: Fri, 6 Jul 2012 08:18:36 +0000 (-0400)
Subject: Wyrowanie w COmmonie...
X-Git-Tag: v.3.2~72^2~5^2~2
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=1e0d83906c2ef79f58f000e6584d45f5f928d1ce

Wyrowanie w COmmonie...
---

diff --git a/source/cluster/wham/src/COMMON.SCCOR b/source/cluster/wham/src/COMMON.SCCOR
index ca6210f..0857cd8 100644
--- a/source/cluster/wham/src/COMMON.SCCOR
+++ b/source/cluster/wham/src/COMMON.SCCOR
@@ -7,10 +7,11 @@ cc Parameters of the SCCOR term
       common/sccor/v1sccor(maxterm_sccor,3,20,20),
      &    v2sccor(maxterm_sccor,3,20,20),
      &    v0sccor(maxterm_sccor,20),
-     &    nterm_sccor(ntyp,ntyp),isccortyp(ntyp),nsccortyp,
-     &    nlor_sccor(ntyp,ntyp),vlor1sccor(maxterm_sccor,20,20),
+     &    vlor1sccor(maxterm_sccor,20,20),
      &    vlor2sccor(maxterm_sccor,20,20),
      &    vlor3sccor(maxterm_sccor,20,20),gloc_sc(3,0:maxres2,10),
      &    dcostau(3,3,3,maxres2),dsintau(3,3,3,maxres2),
      &    dtauangle(3,3,3,maxres2),dcosomicron(3,3,3,maxres2),
-     &    domicron(3,3,3,maxres2)
+     &    domicron(3,3,3,maxres2),
+     &    nterm_sccor(ntyp,ntyp),isccortyp(ntyp),nsccortyp,
+     &    nlor_sccor(ntyp,ntyp)
diff --git a/source/cluster/wham/src/Makefile b/source/cluster/wham/src/Makefile
index 2f5d84f..333ebec 100644
--- a/source/cluster/wham/src/Makefile
+++ b/source/cluster/wham/src/Makefile
@@ -3,9 +3,9 @@ BIN=../../../../bin
 FC = ifort
 OPT = -O3 -ip -w
 OPT = -CB -g 
-FFLAGS =  ${OPT} -c -I. -I../src_MD_T-sccor/include_unres -I../src_MD_T-sccor -I/users/adam/MEY_MD/src_Tc-czarek -I$(INSTALL_DIR)/include
+FFLAGS =  ${OPT} -c -I. -I./include_unres -I../src_MD_T-sccor -I/users/adam/MEY_MD/src_Tc-czarek -I$(INSTALL_DIR)/include
 CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DMP -DMPI
-LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../../wham/src/xdrf/libxdrf.a -g -d2 -CA -CB
+LIBS = -L$(INSTALL_DIR)/lib -lmpich ./xdrf/libxdrf.a -g -d2 -CA -CB
 
 .c.o:
 	cc -c -DLINUX -DPGI $*.c
@@ -21,7 +21,7 @@ objects = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o
 	geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o  \
 	track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o \
 	int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o \
-	setup_var.o read_ref_str.o
+	setup_var.o read_ref_str.o gnmr1.o
 
 unres_clust: $(objects)
 	$(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD_MPI-oldparm