[gmx-users] trjconv_d

[Justin A. Lemkul]

Alessandro.Maiorana at roma2.infn.it wrote:
> Hi all,
> 
> what can I remove the PBC using trjconv? I used the following command:
> 
> trjconv_d -f traj.trr -s topol.tpr -pbc nojump

I've had pretty good success using:

trjconv -pbc mol -ur compact

-Justin

> 
> Thanks
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-- 
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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