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[unres.git]
/
source
/
wham
/
src-M-SAXS-homology
/
make_ensemble1.F
diff --git
a/source/wham/src-M-SAXS-homology/make_ensemble1.F
b/source/wham/src-M-SAXS-homology/make_ensemble1.F
index
74868c7
..
a07dbeb
100644
(file)
--- a/
source/wham/src-M-SAXS-homology/make_ensemble1.F
+++ b/
source/wham/src-M-SAXS-homology/make_ensemble1.F
@@
-11,6
+11,7
@@
#endif
include "COMMON.IOUNITS"
include "COMMON.CONTROL"
#endif
include "COMMON.IOUNITS"
include "COMMON.CONTROL"
+ include "COMMON.HOMOLOGY"
include "COMMON.FREE"
include "COMMON.ENERGIES"
include "COMMON.FFIELD"
include "COMMON.FREE"
include "COMMON.ENERGIES"
include "COMMON.FFIELD"
@@
-370,6
+371,7
@@
c write (iout,*) "qfree",qfree
& ctemper(:ilen(ctemper))//"pdb"
endif
open(ipdb,file=pdbname)
& ctemper(:ilen(ctemper))//"pdb"
endif
open(ipdb,file=pdbname)
+ write (iout,*) "Before reading nlist",nlist
do i=1,nlist
read (ientout,rec=iperm(i))
& ((csingle(l,k),l=1,3),k=1,nres),
do i=1,nlist
read (ientout,rec=iperm(i))
& ((csingle(l,k),l=1,3),k=1,nres),