[gmx-users] Center

Raghunadha Reddy Burri burri at heineken.chemie.uni-dortmund.de
Fri Jul 23 14:32:44 CEST 2004


Dear GMX users,

In my simulation of protein and water frequently going out of cubic box! 

Periodic boundary conditions in all directions means no more out of box 
( because every side have another box same as current box) but really I do 
not understand how some of simulation frames showing protein (some time water 
also) going out of box, this is really getting problem to make a movie from 
trajectory file.

How can possible to maintain protein in cubic box?

Looking for positive reply.

Thank you for your time and consideration.

Till Then

Burri



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