[gmx-users] g_rms and pbc

Alan Wilter Sousa da Silva alan at lac.inpe.br
Wed Mar 24 22:00:01 CET 2004

Hi List!

I'm facing a really boring problem. I have a MD in which system (protein
with 2 chains plus drug) cross box appearing in the other side, perfectly
normal according to PBC.  However, calculating g_rms with options -prev 1
and -nopbc I still got peaks in my rms plot, evidencing it's not
neglecting PBC.

Please how am I supposed to be wrong in my procedure?

Alan Wilter Sousa da Silva
Bolsista Pesquisador LAC-INPE
São José dos Campos (SP), Brasil

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