X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fstochfric.F;h=cda93c394537d95b91e019f15e3d35ab3fbfb5d6;hb=1fd1d1d47d5af85ec47d73bede0f98e38ca1f32a;hp=85c171f0d026c85d47dfaaf1ed226fdeae9bdb03;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git diff --git a/source/unres/src_MD/stochfric.F b/source/unres/src_MD/stochfric.F index 85c171f..cda93c3 100644 --- a/source/unres/src_MD/stochfric.F +++ b/source/unres/src_MD/stochfric.F @@ -223,7 +223,7 @@ c Compute the stochastic forces acting on virtual-bond vectors. do j=1,3 ff(j)=ff(j)+force(j,i) enddo - if (itype(i+1).ne.21) then + if (itype(i+1).ne.ntyp1) then do j=1,3 stochforc(j,i)=stochforc(j,i)+force(j,i+nres+1) ff(j)=ff(j)+force(j,i+nres+1) @@ -369,7 +369,7 @@ c Load the friction coefficients corresponding to side chains ind=ind+1 ii = ind+m iti=itype(i) - gamvec(ii)=gamsc(iti) + gamvec(ii)=gamsc(iabs(iti)) enddo if (surfarea) call sdarea(gamvec) c if (lprn) then