[gmx-users] How many boundary conditions in GMX?

X.Periole X.Periole at rug.nl
Tue Mar 21 08:56:42 CET 2006


> Maybe, this is a stupid question, but I really have no 
>concepts about other kinds of boundary conditions except 
>for pbc.
> 
> Anybody know how many or which boundary condition is 
>used in GMX except for pbc, and how to set the parameters 
>in the input files?
> Because I wanna make a comparison with the results under 
>pbc. 
> 

You can find some the explaination of the type of pbc and
the way use them within gmx in the manual and certainly
extended explainations in any book introducing MD
simulations. This can not easily explained by email.

Best
XAvier



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