[gmx-users] npt equlibration without position restrain

[Olga Press]

Dear gromacs users,

 I perform membrane-protein simulation and used the same mdp files as
suggested by the tutorial of Dr. Justin Lemkul with one exception of
changing the correct parameters for charmm36ff as suggested
by gromacs manual.

I performed 10ns of *NVT equilibration with position restrained* on the
protein and found a convergence of the temperature to the desired
temperature. Followed by 50ns of *NPT equilibration with position
restrained *on the protein, and after that,  I performed 100ns of *NPT
equilibration without position restraint*.
My question is, in the *NPT equilibration without the position restrain,*
what should I put in the category of   *refcoord_scaling? com? *or should I
delete it as I found in the MD.mdp file in the tutorial?

Thanks in advance,
Olga