[gmx-users] Protein is moving out of box.

[chris.neale at utoronto.ca]

While the frequency with which this question is asked does of course  
say something about how diligently some users are searching the list  
archives and using the wiki before posting a question, it remains true  
that this is causing headaches for a significant number of new users.  
I therefore wonder if there is something that can be done to alleviate  
this. One possibility is to automatically detect the occurrence of  
this during mdrun and have it write out a notice to the user along the  
lines of what is refereed to in the wiki at the end of the log file. I  
am saying, basically, that although this is not a bona-fide problem, I  
still think that it deserves to be 'solved'.

Chris.

Browse the archives, check the wiki.
http://wiki.gromacs.org/index.php/Periodic_Boundary_Conditions

Tsjerk

On Fri, Jun 27, 2008 at 8:06 AM, Bhanu <bhanuiitr at gmail.com> wrote:

[Hide Quoted Text]
Hi all,
am new to Gromacs. I tried a 10 ps simulation with a protein and after the
run, the protein came out of the box.. is it good or bad? How can I keep the
protein in the box?
Waiting for ur reply.

Bhanu.