tMD test
&cntrl
 imin=0,
 ntx=5, irest=1,
 ntb=2, ntp=1, barostat=2,
 cut=9.0,
 ntc=2,
 ntf=2,
 ntt=3, temp0=300.0, tempi=300.0,
 gamma_ln=2.0,
 nstlim=5000000, dt=0.002,
 iwrap=1, ioutfm=1,
 ntpr=5000, ntwx=5000,ntwr=5000,
 ntr=0, nmropt=0, itgtmd=1, tgtrmsd=0, tgtmdfrc = 10, ig=-1,
/


