[gmx-users] PBC problem in bilayer system
shahab.shariati at gmail.com
Tue Sep 9 16:11:11 CEST 2014
Dear gromacs users
I did MD simulation of my system containing DPPC lipids + water molecule
and 4 drug molecules.
I saw trajectory file using VMD.
Unfortunately, drug molecules jump across the box.
How to resolve this PBC problem?
which of -pbc options (none, mol, res, atom, nojump, cluster or whole) in
trjconv tool is appropriate for my case?
Any help will highly appreciated.
More information about the gromacs.org_gmx-users