X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M-newcorr%2Fstochfric.F;h=13d02fb43d59eaf94cdc84a0290b5a4e290d1d8a;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=bc12f3e40b666b33bff9f28acfab54843d258a96;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/unres/src_MD-M-newcorr/stochfric.F b/source/unres/src_MD-M-newcorr/stochfric.F index bc12f3e..13d02fb 100644 --- a/source/unres/src_MD-M-newcorr/stochfric.F +++ b/source/unres/src_MD-M-newcorr/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