<div dir="ltr"><div><font size="3" face="Times New Roman">
</font></div><p style="margin:0in 0in 10pt" class="MsoNormal"><font size="3" face="Calibri">As far as I concern, the minimum size is that cove all parts
of your molecules or system. In case you should use solvent it is up to you to
add how many molecules and in this case you should make decision by experience
or according to literature.</font></p><div><font size="3" face="Times New Roman">
</font></div><div><font size="3" face="Times New Roman"></font> </div><div><font size="3" face="Times New Roman">Dariush</font></div><div><font size="3" face="Times New Roman"></font> </div><div> </div><div> </div><div>-- <br>
<div dir="ltr"><div>Kind Regards,<br>Dariush Mohammadyani<br>Department of Structural Biology<br>University of Pittsburgh School of Medicine<br>Biomedical Science Tower 3<br>3501 Fifth Avenue<br>Pittsburgh, PA 15261<br>
USA</div></div><br><br><br></div><div class="gmail_quote">On Thu, Mar 22, 2012 at 12:08 PM, Lara Bunte <span dir="ltr"><<a href="mailto:lara.bunte@yahoo.de">lara.bunte@yahoo.de</a>></span> wrote:<br><blockquote style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid" class="gmail_quote">
Hello<br>
<br>
What size should a box have in that you do your MD? I always read that for short Lennard Jones interactions one should do a cut off with the half of the box size but what how to know a good box size?<br>
<br>
Thanks for help<br>
Greetings<br>
<span class="HOEnZb"><font color="#888888">Lara<br>
--<br>
gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>
<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>
Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/Support/Mailing_Lists/Search</a> before posting!<br>
Please don't post (un)subscribe requests to the list. Use the<br>
www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>
Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/Support/Mailing_Lists</a><br>
</font></span></blockquote></div><br><br clear="all"><br></div>