[gmx-users] Energy minimalization

Karel Berka berka at natur.cuni.cz
Fri Mar 18 23:22:39 CET 2005

 Hi all,

I have a problem with energy minimalization of my system.

It just don't converge (by cg or by steep) and when I visualized my 7 helix
protein after this step it had just 3 helixes and rest of atoms were diffuzed
around them.

What is wrong?
or What I should look for to reolve this situation?

I'm undergraduate student.

Thank you in advance
Karel Berka

Karel Berka
student of Physical Chemistry
Faculty of Natural Sciences
Charles University, Prague

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