X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Freadrtns_CSA.F;h=70bacea0db29a874ffd0c589418b0d3e135493ff;hb=3dbe5ceeea4b858bc25fa1469237e697c0bf293f;hp=75c418a1527585345f8f79ace92179337a06fbe2;hpb=f53d2f56ffdf788a1429ecd19bfb5f3de055204d;p=unres.git

diff --git a/source/unres/src_MD-M/readrtns_CSA.F b/source/unres/src_MD-M/readrtns_CSA.F
index 75c418a..70bacea 100644
--- a/source/unres/src_MD-M/readrtns_CSA.F
+++ b/source/unres/src_MD-M/readrtns_CSA.F
@@ -717,7 +717,7 @@ c        print *,'Finished reading pdb data'
          maxsi=1000
          do i=2,nres-1
           iti=itype(i)
-          if (iti.ne.10 .and. itype(i).ne.21) then
+          if (iti.ne.10 .and. itype(i).ne.ntyp1) then
             nsi=0
             fail=.true.
             do while (fail.and.nsi.le.maxsi)
@@ -759,9 +759,9 @@ c      print *,nres
 c      print '(20i4)',(itype(i),i=1,nres)
       do i=1,nres
 #ifdef PROCOR
-        if (itype(i).eq.21 .or. itype(i+1).eq.21) then
+        if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) then
 #else
-        if (itype(i).eq.21) then
+        if (itype(i).eq.ntyp1) then
 #endif
           itel(i)=0
 #ifdef PROCOR
@@ -824,8 +824,8 @@ C 8/13/98 Set limits to generating the dihedral angles
 #endif
       nct=nres
 cd      print *,'NNT=',NNT,' NCT=',NCT
-      if (itype(1).eq.21) nnt=2
-      if (itype(nres).eq.21) nct=nct-1
+      if (itype(1).eq.ntyp1) nnt=2
+      if (itype(nres).eq.ntyp1) nct=nct-1
       if (pdbref) then
         if(me.eq.king.or..not.out1file)
      &   write (iout,'(a,i3)') 'nsup=',nsup
@@ -942,7 +942,7 @@ C initial geometry.
               enddo
             enddo
             do i=nnt,nct
-              if (itype(i).ne.10 .and. itype(i).ne.21) then
+              if (itype(i).ne.10 .and. itype(i).ne.ntyp1) then
                 do j=1,3
                   dc(j,i+nres)=c(j,i+nres)-c(j,i) 
                   dc_norm(j,i+nres)=dc_norm(j,i+nres)*vbld_inv(i+nres)
@@ -1212,7 +1212,7 @@ c
         enddo
       enddo
       do i=nnt,nct
-        if (itype(i).ne.10 .and. itype(i).ne.21) then
+        if (itype(i).ne.10 .and. itype(i).ne.ntyp1) then
           do j=1,3
             dc(j,i+nres)=c(j,i+nres)-c(j,i)
             dc_norm(j,i+nres)=dc(j,i+nres)*vbld_inv(i+nres)
@@ -1292,7 +1292,7 @@ C Set up variable list.
       nvar=ntheta+nphi
       nside=0
       do i=2,nres-1
-        if (itype(i).ne.10 .and. itype(i).ne.21) then
+        if (itype(i).ne.10 .and. itype(i).ne.ntyp1) then
 	  nside=nside+1
           ialph(i,1)=nvar+nside
 	  ialph(nside,2)=i