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dynamic disulfides are working again in md
[unres.git]
/
source
/
unres
/
src_MD
/
geomout.F
diff --git
a/source/unres/src_MD/geomout.F
b/source/unres/src_MD/geomout.F
index
712a3e3
..
fff3d14
100644
(file)
--- a/
source/unres/src_MD/geomout.F
+++ b/
source/unres/src_MD/geomout.F
@@
-110,7
+110,8
@@
cmodel write (iunit,'(a5,i6)') 'MODEL',1
write (iunit,30) ica(nct),ica(nct)+1
endif
do i=1,nss
write (iunit,30) ica(nct),ica(nct)+1
endif
do i=1,nss
- write (iunit,30) ica(ihpb(i)-nres)+1,ica(jhpb(i)-nres)+1
+c trzeba uporzdkowac
+c write (iunit,30) ica(ihpb(i))+1,ica(jhpb(i))+1
enddo
write (iunit,'(a6)') 'ENDMDL'
10 FORMAT ('ATOM',I7,' CA ',A3,I6,4X,3F8.3,f15.3)
enddo
write (iunit,'(a6)') 'ENDMDL'
10 FORMAT ('ATOM',I7,' CA ',A3,I6,4X,3F8.3,f15.3)