normal insane.py -pbc

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2 months 1 week ago #7827 by Newguy
Newguy created the topic: insane.py -pbc
Moin everybody :D

Tried to use different pbc with insane, but I always get a rectangle (just the x,y,z Vektors)
really liked to have an hexagonal prism like in the paper, but nothing seems to work.

commands (just the ones I find important):

-pbc (tride every type that was in the descritpion)
-box (different vektors. Also tried -x -y -z)

Does anybody have an idea? Do I miss something?

In the description it is straigt forward, but nothing different happens when I use different commands.

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2 months 6 days ago #7828 by tsjerk
tsjerk replied the topic: insane.py -pbc
Can you copy-paste the command-line you're using?

T.

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2 months 5 days ago #7829 by Newguy
Newguy replied the topic: insane.py -pbc
It is something like that:

python insane.py -f protein.pdb -o system.gro -p system.top -pbc square -box 10,10,7 -l POPG:1 -l POPC:1 -salt 0.01 -charge -162 -sol W -dm 2

I swapped square with rectangular, optimal, hexagonal and cubic.

Tried to swap -box to -x -y -z and removed everything I didn't need :D

Thanks for the fast answer T

N.

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