X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fgeomout.F;fp=source%2Fwham%2Fsrc-M%2Fgeomout.F;h=0f729e4d1d410cf1d2885b6dacf446db87b05e73;hb=7fcc0efe632e299b8b944facdca6b9320c8c78da;hp=941810f27fafe38a4d87514b3a7f363ff54eba06;hpb=05283f438be84bc574c0d6aad77f39de1303d679;p=unres.git

diff --git a/source/wham/src-M/geomout.F b/source/wham/src-M/geomout.F
index 941810f..0f729e4 100644
--- a/source/wham/src-M/geomout.F
+++ b/source/wham/src-M/geomout.F
@@ -22,7 +22,7 @@
       ires=0
       do i=nnt,nct
         iti=itype(i)
-        if (iti.eq.21) then
+        if (iti.eq.ntyp1) then
           ichain=ichain+1
           ires=0
           write (ipdb,'(a)') 'TER'
@@ -41,12 +41,12 @@
       enddo
       write (ipdb,'(a)') 'TER'
       do i=nnt,nct-1
-        if (itype(i).eq.21) cycle
-        if (itype(i).eq.10 .and. itype(i+1).ne.21) then
+        if (itype(i).eq.ntyp1) cycle
+        if (itype(i).eq.10 .and. itype(i+1).ne.ntyp1) then
           write (ipdb,30) ica(i),ica(i+1)
-        else if (itype(i).ne.10 .and. itype(i+1).ne.21) then
+        else if (itype(i).ne.10 .and. itype(i+1).ne.ntyp1) then
           write (ipdb,30) ica(i),ica(i+1),ica(i)+1
-        else if (itype(i).ne.10 .and. itype(i+1).eq.21) then
+        else if (itype(i).ne.10 .and. itype(i+1).eq.ntyp1) then
           write (ipdb,30) ica(i),ica(i)+1
         endif
       enddo