zmiany w galezi multichain

[unres.git] / source / unres / src_MD-M / elecont.f

diff --git a/source/unres/src_MD-M/elecont.f b/source/unres/src_MD-M/elecont.f
index 634e908..4faf3e5 100644 (file)
--- a/source/unres/src_MD-M/elecont.f
+++ b/source/unres/src_MD-M/elecont.f
@@ -42,7 +42,7 @@ c      data epp    / 0.3045d0, 0.3649d0, 0.3649d0, 0.5743d0/
       ees=0.0
       evdw=0.0
       do 1 i=nnt,nct-2
-        if (itype(i).eq.21 .or. itype(i+1).eq.21) goto 1
+        if (itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) goto 1
         xi=c(1,i)
         yi=c(2,i)
         zi=c(3,i)
@@ -53,7 +53,7 @@ c      data epp    / 0.3045d0, 0.3649d0, 0.3649d0, 0.5743d0/
         ymedi=yi+0.5*dyi
         zmedi=zi+0.5*dzi
         do 4 j=i+2,nct-1
-          if (itype(j).eq.21 .or. itype(j+1).eq.21) goto 4
+          if (itype(j).eq.ntyp1 .or. itype(j+1).eq.ntyp1) goto 4
           ind=ind+1
           iteli=itel(i)
           itelj=itel(j)
@@ -214,7 +214,7 @@ c--------------------------------------------
       double precision p1,p2
       external freeres
 
-      if(.not.dccart) call chainbuild
+cc????      if(.not.dccart) call chainbuild
 cd      call write_pdb(99,'sec structure',0d0)
       ncont=0
       nbfrag=0