[gmx-users] g_msd => The MSD and periodic boundary condition

[Tsjerk Wassenaar]

Hi,

> Removing periodicity from the trajectory can be done after simulation
> using g_traj with the "-nojump" option.

Actually,

trjconv -pbc nojump

Cheers,

Tsjerk

>
> Best,
> Lukasz
>
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> Lukasz Cwiklik
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-- 
Tsjerk A. Wassenaar, Ph.D.

Computational Chemist
Medicinal Chemist
Neuropharmacologist