[gmx-users] protein goes out from the waterbox during MD

[Eugenia Polverini]

Dear all,
in the output of my 5 ns MD of a small protein in a box of water and 
pbc, I see that during MD the protein goes out from the box.
Why it happened? Is it a problem or I can accept that all was OK?
I have set the comm_mode=angular.

Thanks for your help!
Best regards
Eugenia



-- 
Eugenia Polverini, Ph.D.
Dept. of Physics
University of Parma
Parco Area delle Scienze, 7/A
43100 Parma
ITALY

Phone: +39 0521 905254
Fax: +39 0521 905223
E-Mail: eugenia.polverini at fis.unipr.it
http://www.fis.unipr.it/~polveri