[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
Regards
Karel Berka
--
Karel Berka
------------------------------
student of Physical Chemistry
Faculty of Natural Sciences
Charles University, Prague
More information about the gromacs.org_gmx-users
mailing list