projects
/
unres.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
|
inline
| side by side
xdrf2pdb Adam's PBC correction
[unres.git]
/
source
/
xdrfpdb
/
src-M
/
geomout.F
diff --git
a/source/xdrfpdb/src-M/geomout.F
b/source/xdrfpdb/src-M/geomout.F
index
4b871b8
..
256bc7a
100644
(file)
--- a/
source/xdrfpdb/src-M/geomout.F
+++ b/
source/xdrfpdb/src-M/geomout.F
@@
-98,7
+98,7
@@
c endif
if (iti.eq.ntyp1) then
ichain=ichain+1
ires=0
if (iti.eq.ntyp1) then
ichain=ichain+1
ires=0
- write (iunit,'(a)') 'TER'
+ if (iti_prev.ne.ntyp1) write (iunit,'(a)') 'TER'
else
ires=ires+1
iatom=iatom+1
else
ires=ires+1
iatom=iatom+1
@@
-113,6
+113,7
@@
c endif
! & vtot(i+nres)
endif
endif
! & vtot(i+nres)
endif
endif
+ iti_prev=iti
enddo
write (iunit,'(a)') 'TER'
do i=nnt,nct-1
enddo
write (iunit,'(a)') 'TER'
do i=nnt,nct-1