[gmx-users] PBC problem in bilayer system

[Michael Carter]

Hi,

Try -pbc nojump

Best,
Mike

On 09/09/2014 15:11, "shahab shariati" <shahab.shariati at gmail.com> wrote:

>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.
>-- 
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