[gmx-users] Protein jumping out of water box

Kukol, Andreas a.kukol at herts.ac.uk
Fri Dec 3 12:31:54 CET 2010


Yes, everyone knows why this happens. This question has been asked so often that there is a FAQ on the Gromacs web-site: 

http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions

Best wishes
Andreas

-----------------------

From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of ????? ??????
Sent: 03 December 2010 09:57
To: gmx-users at gromacs.org
Subject: [gmx-users] Protein jumping out of water box

Hi all,
I have been running nano second long simulations using Gromacs 4.0.7 and connecting them to create a long time period. on the last run the protein "jumped" out of the water box (the output files were viewed using VMD) does anyone know why this could have happened? 
Thanks, Gideon



More information about the gromacs.org_gmx-users mailing list