X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fmoments.f;h=59927738b32e0c2e4f3bc71b18d818306dafa236;hb=3dbe5ceeea4b858bc25fa1469237e697c0bf293f;hp=50f4d8bf565dc4dfa5cca31498e36399c83ed4e6;hpb=f53d2f56ffdf788a1429ecd19bfb5f3de055204d;p=unres.git

diff --git a/source/unres/src_MD-M/moments.f b/source/unres/src_MD-M/moments.f
index 50f4d8b..5992773 100644
--- a/source/unres/src_MD-M/moments.f
+++ b/source/unres/src_MD-M/moments.f
@@ -96,7 +96,7 @@ c   calculating the center of the mass of the protein
         
       		   	 	
         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
            iti=iabs(itype(i))	   	 
            inres=i+nres
           Im(1,1)=Im(1,1)+Isc(iti)*(1-dc_norm(1,inres)*
@@ -179,7 +179,7 @@ c   Resetting the velocities
           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
            inres=i+nres
            call vecpr(vrot(1),dc(1,inres),vp)			 
       	   do j=1,3
@@ -249,7 +249,7 @@ c  Calculate the angular momentum
          do j=1,3
            pr(j)=c(j,inres)-cm(j)	    
          enddo
-         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
              v(j)=incr(j)+d_t(j,inres)
            enddo
@@ -265,7 +265,7 @@ c     &     " v",(v(j),j=1,3)," vp",(vp(j),j=1,3)
             L(j)=L(j)+msc(iti)*vp(j)
          enddo
 c         write (iout,*) "L",(l(j),j=1,3)
-         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
             v(j)=incr(j)+d_t(j,inres)
            enddo
@@ -307,7 +307,7 @@ c------------------------------------------------------------------------------
          endif
          amas=msc(iabs(itype(i)))
          summas=summas+amas    	     	 
-         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
              vcm(j)=vcm(j)+amas*(vv(j)+d_t(j,i+nres))
            enddo