[gmx-users] Gromacs Tutorial by Justin

Faezeh Pousaneh fpoosaneh at gmail.com
Wed Mar 7 12:25:39 CET 2018

Dear Justin,

I have 2 questions regarding your tutorial on Carbon Dioxide in this link:

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

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