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

chris.neale at utoronto.ca chris.neale at utoronto.ca
Fri Jun 27 18:32:04 CEST 2008

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'.


Browse the archives, check the wiki.


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.


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