X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fmoments.f;h=9388436c0af5ca9c08cd85e025505c353f425c96;hb=cc6bfed2a73175fb7329acdd60f3d89d9f25afbb;hp=5adbf21178c16d17fa6e2b949e40dc80cc0d28de;hpb=09c59d93e015e59ab76abe27b9ab0795a64ae803;p=unres.git

diff --git a/source/unres/src_MD/moments.f b/source/unres/src_MD/moments.f
index 5adbf21..9388436 100644
--- a/source/unres/src_MD/moments.f
+++ b/source/unres/src_MD/moments.f
@@ -42,7 +42,7 @@ c   calculating the center of the mass of the protein
         enddo
         M_SC=0.0d0		   	 	
         do i=nnt,nct
-           iti=itype(i)	   	 
+           iti=iabs(itype(i))	   	 
       	   M_SC=M_SC+msc(iti)
            inres=i+nres
            do j=1,3
@@ -66,7 +66,7 @@ c   calculating the center of the mass of the protein
         enddo   	 	
         
       	do i=nnt,nct	
-           iti=itype(i)
+           iti=iabs(itype(i))
            inres=i+nres
            do j=1,3
              pr(j)=c(j,inres)-cm(j)	    
@@ -97,7 +97,7 @@ c   calculating the center of the mass of the protein
       		   	 	
         do i=nnt,nct
          if (itype(i).ne.10) then
-           iti=itype(i)	   	 
+           iti=iabs(itype(i))	   	 
            inres=i+nres
           Im(1,1)=Im(1,1)+Isc(iti)*(1-dc_norm(1,inres)*
      &	  dc_norm(1,inres))*vbld(inres)*vbld(inres)
@@ -244,7 +244,7 @@ c  Calculate the angular momentum
           incr(j)=d_t(j,0)
         enddo	
         do i=nnt,nct
-         iti=itype(i)	 
+         iti=iabs(itype(i))	 
          inres=i+nres
          do j=1,3
            pr(j)=c(j,inres)-cm(j)	    
@@ -305,7 +305,7 @@ c------------------------------------------------------------------------------
              vcm(j)=vcm(j)+mp*(vv(j)+0.5d0*d_t(j,i))
            enddo
          endif
-         amas=msc(itype(i))
+         amas=msc(iabs(itype(i)))
          summas=summas+amas    	     	 
          if (itype(i).ne.10) then
            do j=1,3