[gmx-users] triclinic box

Hermann, Johannes J.Hermann at lrz.tu-muenchen.de
Wed Aug 30 16:18:40 CEST 2017

Hi Nikko,

what do you insert for X Y Z in your editconf command? With which 
program do you "open" the gro file? If I remember it correctly, VMD has 
a problem displaying anything else than a rectangular box (If you just 
want to display the edges of your box). Try to display the water 
molecules and see if you get a different shape.

All the best


On 30.08.2017 15:50, Niko Ukkonen wrote:
> Dear All,
> I'm trying to define a triclinic box. I used this command : gmx editconf -f
> x.pdb -o box.gro -bt triclinic -box X Y Z -angles 90 90 120.
> Then, I use gmx solvate to fill the box: gmx solvate -cp box.gro -cs tip4p
> -p topol.top -o solve.gro
> But, when I open it. it's like a cubic box. Would you please help me?
> Thank you in advance,
> Nikko

*Technische Universität München*
*Johannes Hermann, M.Sc.*
Lehrstuhl für Bioverfahrenstechnik
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Email: j.hermann at lrz.tum.de

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