how can I do energy minimization with position restraint. how I creat cooresponding mdp file? what should considered except what is seen in below mdp file.<br><br>define                =  -DPOSRES<br>constraints         =  none<br>
integrator           =  steep<br>nsteps               =  100<br>emtol                =  2000<br>emstep             =  0.01<br>nstcomm           =  1<br>ns_type             =  grid<br>rlist                   =  1<br>rcoulomb           =  1.0<br>
rvdw                 =  1.0<br>Tcoupl              =  no<br>Pcoupl              =  no<br>gen_vel             =  no<br><br>