<div dir="ltr">The group PROTEIN isn't very large as the group NONPROTEIN, therefore its total kinetic energy fluctuates more.<br>
--Omer.<br><br><div class="gmail_quote">On Wed, Sep 16, 2009 at 12:10, Stephane Abel <span dir="ltr"><<a href="mailto:Stephane.Abel@cea.fr">Stephane.Abel@cea.fr</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
tc-grps = Protein Non-Protein ; two coupling groups - more accurate<br>
tau_t = 0.4 0.4 ; time constant, in ps<br>
ref_t = 310 310 ; reference temperature, one for each group, in K </blockquote><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Energy Average RMSD Fluct. Drift Tot-Drift<br>
-------------------------------------------------------------------------------<br>
Temperature 310 2.46886 2.46886 6.12135e-07 0.0171398<br>
T-Protein 310 32.1134 32.1117 -4.10352e-05 -1.14898<br>
T-Non-Protein 310 2.47549 2.47548 8.55869e-07 0.0239643<br>
</blockquote></div></div>