[gmx-users] what's the meaning of pbc=no?
g0403186 at nus.edu.sg
Sun Nov 13 15:40:15 CET 2005
I want to do a simulation without periodic boundary condition, but I am confused by the meaning of pbc=no.
It may have two meanings.
First, no box, then liquid water becomes vapour because pressure is zero.
Second, there is a box. any atom who collides the box will be reflexed. but here no image box.
The simulation I intend to do is the second one, but gromacs seems to do the first one.
who can clarify it? thanks
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users