X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2FREMD.F90;h=699631c7d9bcf09ceb560df459ca12cd1c92c78c;hb=bc23440fbe68672d430f71f22f46b11265f003db;hp=fc0c9f10fb883b08e6484de9cc9c8fecc3e2e606;hpb=93c80ac3c004358a54976becc9578af8dbec8990;p=unres4.git diff --git a/source/unres/REMD.F90 b/source/unres/REMD.F90 index fc0c9f1..699631c 100644 --- a/source/unres/REMD.F90 +++ b/source/unres/REMD.F90 @@ -627,11 +627,11 @@ ii = ind+m mnum=molnum(i) iti=itype(i,mnum) - if (mnum.eq.5) then - mscab=0.0 - else +! if (mnum.eq.5) then +! mscab=0.0 +! else mscab=msc(iabs(iti),mnum) - endif +! endif massvec(ii)=mscab if (iti.ne.10 .and. iti.ne.ntyp1_molec(mnum) .and. mnum.ne.5) then