<br>
Hi Rongliang Wu,<br>
<br>
Because temperature is a property of a lot of particles together. A few
particles can show enormous fluctuations, and coupling a small subset
of particles will cause constant rescaling of the velocities and can
cause fatal artefacts to your simulation. That's why. For more
information, check the archives.<br>
<br>
Tsjerk<br><br><div><span class="gmail_quote">On 12/27/05, <b class="gmail_sendername">Rongliang Wu</b> <<a href="mailto:wurl04@iccas.ac.cn">wurl04@iccas.ac.cn</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hello Tsjerk,<br> why?
why it will be too bad if i couple a handful types of molecule to heat
bath?i have always being doing so and have<br>not yet found any errors, would you tell me what will be inapproiate if i couple several types of molecules?<br><br>Thanks!<br><br>Regards!<br><br>Sincerely,<br><br>Rongliang Wu
<br>State Key Laboratory<br>of Polymer Physics and Chemistry<br>Center of Molecular Science<br>Institute of Chemistry<br>Chinese Academy of Sciences<br><br><br><a href="mailto:wurl04@iccas.ac.cn">wurl04@iccas.ac.cn</a><br>
2005-12-27<br><br>_______________________________________________<br>gmx-users mailing list<br><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
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</a>.<br><br></blockquote></div><br><br clear="all"><br>-- <br><br>Tsjerk A. Wassenaar, M.Sc.<br>Groningen Biomolecular Sciences and Biotechnology Institute (GBB)<br>Dept. of Biophysical Chemistry<br>University of Groningen
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