[gmx-users] Position restrain

[Riccardo Concu]

Dear Gromacs users, I want to simulate a silica polymer composed by some
molecules. I want to study the "affinity" of some molecules with a fixed
configuration of this silica polymer. For this reason, I applied the
position restrain in the .itp files. Now my question, I need to P
rescale the box during the NPT, thus is it better to apply the
refcoord-scaling=mol only until the box reach a stable dimension or is
better apply the refcoord during all the simulation. In addition, if I
apply the Pcouple without the refcoord-scaling option, it will generate
"erroneous" or "untrustable" results?