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<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
10.0pt'>Dear all,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
10.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
10.0pt'>I wonder if the drift velocity has been removed from calculating the
temperature for a non-equilibrium MD in which a directional movement for a
group exists due to external force applied. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
10.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
10.0pt'>One paper, entitled “Why are carbon nanotubes fast transporters
of water?” (Joseph and Aluru, Nano Letters, web release version in Feb.
2008), mentioned that “the mean axial velocity of water was subtracted
from the axial component of the velocity of each water molecule as implemented
in ref 20.” Here the ref 20 is the one (Lindahl et al., Gromacs 3.0: a
package for molecular simulation and trajectory analysis. J Mol Model, 2001, 7:306-317).
Unfortunately I did not find such information in ref 20. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
10.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
10.0pt'>Anyone can tell me the clear answer on this?<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
10.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Thanks,</span></font><o:p></o:p></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Zhongqiao</span></font><o:p></o:p></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'><o:p> </o:p></span></font></p>
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