[gmx-users] disabling pbc while using trjconv

Peter Stern peter.stern at weizmann.ac.il
Wed Jan 20 19:04:45 CET 2016


First try the trjconv option -pbc no jump.

Peter

Sent from my iPad

> On 20 בינו׳ 2016, at 19:50, Irem Altan <irem.altan at duke.edu> wrote:
> 
> Hi,
> 
> When generating trajectories with trjconv in .pdb format, is it possible to have the coordinates unwrapped? What I mean by this is to have coordinates the way they were in the original protein .pdb file: not wrapped into the unit cell (so that the protein is a single piece).
> 
> Best,
> Irem
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