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zmiany w galezi multichain
[unres.git]
/
source
/
unres
/
src_MD-M
/
geomout.F
diff --git
a/source/unres/src_MD-M/geomout.F
b/source/unres/src_MD-M/geomout.F
index
c6a3944
..
4673c4e
100644
(file)
--- a/
source/unres/src_MD-M/geomout.F
+++ b/
source/unres/src_MD-M/geomout.F
@@
-91,7
+91,7
@@
cmodel write (iunit,'(a5,i6)') 'MODEL',1
ires=0
do i=nnt,nct
iti=itype(i)
ires=0
do i=nnt,nct
iti=itype(i)
- if (iti.eq.ntyp1) then
+ if ((iti.eq.ntyp1).and.((itype(i+1)).eq.ntyp1)) then
ichain=ichain+1
ires=0
write (iunit,'(a)') 'TER'
ichain=ichain+1
ires=0
write (iunit,'(a)') 'TER'
@@
-99,6
+99,7
@@
cmodel write (iunit,'(a5,i6)') 'MODEL',1
ires=ires+1
iatom=iatom+1
ica(i)=iatom
ires=ires+1
iatom=iatom+1
ica(i)=iatom
+ if (iti.ne.ntyp1) then
write (iunit,10) iatom,restyp(iti),chainid(ichain),
& ires,(c(j,i),j=1,3),vtot(i)
if (iti.ne.10) then
write (iunit,10) iatom,restyp(iti),chainid(ichain),
& ires,(c(j,i),j=1,3),vtot(i)
if (iti.ne.10) then
@@
-106,6
+107,7
@@
cmodel write (iunit,'(a5,i6)') 'MODEL',1
write (iunit,20) iatom,restyp(iti),chainid(ichain),
& ires,(c(j,nres+i),j=1,3),
& vtot(i+nres)
write (iunit,20) iatom,restyp(iti),chainid(ichain),
& ires,(c(j,nres+i),j=1,3),
& vtot(i+nres)
+ endif
endif
endif
enddo
endif
endif
enddo