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<DIV><FONT size=2 face=±¼¸²>Hello!</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²><FONT size=3>I did some simulation with a protein
moleculesusing the v-rescale thermostat. First I<BR>ran a simulation in the NVT
ensemble with md-vv intergrator , conserved <BR>energy was constant , but
temperature is too low or too high. <BR><BR>Then I tried simulating
the system with md-vv-avek or leap-frog intergrator ,temperature
is OK, but conserved energy has drift.</FONT></FONT></DIV>
<DIV><FONT size=2 face=±¼¸²><FONT size=3>Using nose-hoover chain, Temperature is
OK and conserved energy was constant .<BR>So what is going wrong ?
</FONT></FONT></DIV>
<DIV><FONT size=2 face=±¼¸²><FONT size=3></FONT></FONT> </DIV>
<DIV><FONT size=2 face=±¼¸²><FONT size=3>T</FONT></FONT><FONT size=2 face=±¼¸²><FONT
size=3>hanks in advance.<BR></DIV></FONT></FONT></BODY></HTML>