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 <[EMAIL PROTECTED]> 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.
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