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cmake readpdb_mult.F
[unres.git]
/
source
/
wham
/
src
/
geomout.F
diff --git
a/source/wham/src/geomout.F
b/source/wham/src/geomout.F
index
9506eed
..
35f3d77
100644
(file)
--- a/
source/wham/src/geomout.F
+++ b/
source/wham/src/geomout.F
@@
-40,7
+40,11
@@
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
+c if(dyn_ss) then
+c write (ipdb,30) ica(idssb(i))+1,ica(jdssb(i))+1
+c else
write (ipdb,30) ica(ihpb(i))+1,ica(jhpb(i))+1
write (ipdb,30) ica(ihpb(i))+1,ica(jhpb(i))+1
+c endif
enddo
10 FORMAT ('ATOM',I7,' CA ',A3,I6,4X,3F8.3)
20 FORMAT ('ATOM',I7,' CB ',A3,I6,4X,3F8.3)
enddo
10 FORMAT ('ATOM',I7,' CA ',A3,I6,4X,3F8.3)
20 FORMAT ('ATOM',I7,' CB ',A3,I6,4X,3F8.3)