X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fstochfric.F;h=b239a677176caed73dba3afc85a9028014b64bf3;hb=33ca65593386f7dce46c59efeb0f77b996757cbf;hp=bc12f3e40b666b33bff9f28acfab54843d258a96;hpb=7675ab8ec26554f2fd3f2e7e427b177254872a45;p=unres.git

diff --git a/source/unres/src_MD-M/stochfric.F b/source/unres/src_MD-M/stochfric.F
index bc12f3e..10531b4 100644
--- a/source/unres/src_MD-M/stochfric.F
+++ b/source/unres/src_MD-M/stochfric.F
@@ -39,7 +39,7 @@
         ind=ind+3
       enddo
       do i=nnt,nct
-        if (itype(i).ne.10) then
+        if ((itype(i).ne.10).and.(itype(i).ne.ntyp1)) then
           do j=1,3
             d_t_work(ind+j)=d_t(j,i+nres)
           enddo
@@ -68,7 +68,7 @@
         ind=ind+3
       enddo
       do i=nnt,nct
-        if (itype(i).ne.10) then
+        if ((itype(i).ne.10).and.(itype(i).ne.ntyp1)) then
           do j=1,3
             friction(j,i+nres)=fric_work(ind+j)
           enddo
@@ -234,7 +234,7 @@ c Compute the stochastic forces acting on virtual-bond vectors.
         stochforc(j,0)=ff(j)+force(j,nnt+nres)
       enddo
       do i=nnt,nct
-        if (itype(i).ne.10) then
+        if ((itype(i).ne.10).and.(itype(i).ne.ntyp1)) then
           do j=1,3
             stochforc(j,i+nres)=force(j,i+nres)
           enddo
@@ -252,7 +252,7 @@ c Compute the stochastic forces acting on virtual-bond vectors.
         ind=ind+3
       enddo
       do i=nnt,nct
-        if (itype(i).ne.10) then
+        if ((itype(i).ne.10).and.(itype(i).ne.ntyp1)) then
           do j=1,3
             stochforcvec(ind+j)=stochforc(j,i+nres)
           enddo
@@ -365,7 +365,7 @@ c  Load the friction coefficients corresponding to peptide groups
 c  Load the friction coefficients corresponding to side chains
       m=nct-nnt
       ind=0
-      gamsc(ntyp1)=1.0d0
+C      gamsc(ntyp1)=1.0d0
       do i=nnt,nct
         ind=ind+1
         ii = ind+m