[gmx-users] disabling pbc while using trjconv

[Peter Stern]

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
> -- 
> Gromacs Users mailing list
> 
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> 
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> 
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.