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cluster wham test homo small memory single sco
[unres.git]
/
source
/
wham
/
src-M
/
geomout.F
diff --git
a/source/wham/src-M/geomout.F
b/source/wham/src-M/geomout.F
index
c9110ae
..
6747e76
100644
(file)
--- a/
source/wham/src-M/geomout.F
+++ b/
source/wham/src-M/geomout.F
@@
-54,11
+54,11
@@
write (ipdb,30) ica(nct),ica(nct)+1
endif
do i=1,nss
write (ipdb,30) ica(nct),ica(nct)+1
endif
do i=1,nss
- if (dyn_ss) then
- write (iunit,30) ica(idssb(i))+1,ica(jdssb(i))+1
- else
- write (ipdb,30) ica(ihpb(i)-nres)+1,ica(jhpb(i)-nres)+1
- endif
+C if (dyn_ss) then
+C write (iunit,30) ica(idssb(i))+1,ica(jdssb(i))+1
+C else
+C write (ipdb,30) ica(ihpb(i)-nres)+1,ica(jhpb(i)-nres)+1
+C endif
enddo
write (ipdb,'(a6)') 'ENDMDL'
10 FORMAT ('ATOM',I7,' CA ',A3,1X,A1,I4,4X,3F8.3,f15.3)
enddo
write (ipdb,'(a6)') 'ENDMDL'
10 FORMAT ('ATOM',I7,' CA ',A3,1X,A1,I4,4X,3F8.3,f15.3)