if (refstr) then
call rms_nac_nnc(rms,frac,frac_nn,co,.false.)
write (line1,'(i10,f15.2,3f12.3,f7.2,2f6.3,f12.3,f10.1,2f8.2,
- & f9.2,i5,$)')
+ & f9.3,i5,$)')
& itime,totT,EK,potE,totE,
& rms,frac,frac_nn,kinetic_T,t_bath,gyrate(),
& distance,potEcomp(23),me