#endif
if (refstr) then
call rms_nac_nnc(rms,frac,frac_nn,co,.false.)
+ if(tnp .or. tnp1 .or. tnh) then
+ write (line1,'(i10,f15.2,3f12.3,f12.6,f7.2,4f6.3,3f12.3,i5,$)')
+ & itime,totT,EK,potE,totE,hhh,
+ & rms,frac,frac_nn,co,amax,kinetic_T,t_bath,gyrate(),me
+ format1="a145"
+ else
write (line1,'(i10,f15.2,3f12.3,f7.2,4f6.3,3f12.3,i5,$)')
& itime,totT,EK,potE,totE,
& rms,frac,frac_nn,co,amax,kinetic_T,t_bath,gyrate(),me
format1="a133"
+ endif
+ else
+ if(tnp .or. tnp1 .or. tnh) then
+ write (line1,'(i10,f15.2,7f12.3,f12.6,i5,$)')
+ & itime,totT,EK,potE,totE,hhh,
+ & amax,kinetic_T,t_bath,gyrate(),me
+ format1="a126"
else
write (line1,'(i10,f15.2,7f12.3,i5,$)')
& itime,totT,EK,potE,totE,
& amax,kinetic_T,t_bath,gyrate(),me
format1="a114"
endif
+ endif
if(usampl.and.totT.gt.eq_time) then
write(line2,'(i5,2f9.4,300f7.4)') iset,uconst,uconst_back,
& (qfrag(ii1),ii1=1,nfrag),(qpair(ii2),ii2=1,npair),