q(nQ+1,iii+1)=rmsnat(iii+1)
endif
q(nQ+2,iii+1)=gyrate(iii+1)
+ if (q(nQ+1,iii+1).le.frac_cutoff) then
+ q(nQ+3,iii+1)=1.0d0
+ else
+ q(nQ+3,iii+1)=0.0d0
+ endif
c fT=T0*beta_h(ib,ipar)*1.987D-3
c ft=2.0d0/(1.0d0+1.0d0/(T0*beta_h(ib,ipar)*1.987D-3))
if (rescale_mode.eq.1) then