Dear Gmx Users,
I am trying to setup the system of nanotubes with attached polypeptides. I
wish to define the equlibrium distance (PMF minima) between them. However
in my system, I will have 6 of them in which one is in its quarter in the
rectangular each box edge copied across pbc. It is the
Not sure that I got your question correctly...
The atom indices, which you supply to umbrella code, can be defined as
you like, without being bound to the molecules they belong to in the
topology files. Therefore, if you need to restraint certain number of
atoms in a system, just enumerate them
