[gmx-users] Gromacs Tutorial by Justin

[Faezeh Pousaneh]

Dear Justin,

I have 2 questions regarding your tutorial on Carbon Dioxide in this link:
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/vsites/index.html

1- I see that in your simple simulation you use no boundary conditions,
pbc=no, should it be always so for this model?

2- You use
 comm-mode = angular,
is that necessary?

thanks for answer.

Best regards