<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear All,</div><div> </div><div><font size="4">I am using the GROMACS 3.3.3 to practice the lysozyme tutorial of Justin Lemkul </font><a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/index.html"><font size="4">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/index.html</font></a><font size="4">.</font></div><div><font size="4"></font> </div><div><font size="4">For each .mdp used in the tutorial, there is "tcoupl = V-rescale".</font></div><div><font size="4"></font> </div><div><font size="4">However if we do not change the value of tcoupl in any .mdp related step, it always fails, and it suggest "ERROR: invalid enum 'V-rescale' for variable tcoupl, using 'No'. Next time use one of: 'No' 'Berendsen' 'Nose-Hoover' 'yes' 'Andersen'
'Andersen-interval'".</font></div><div><font size="4"></font> </div><div><font size="4">When I change the tcoupl=no, it always works.</font></div><div><font size="4"></font> </div><div><font size="4">Will you please tell me in which situation use 'No' 'Berendsen' 'Nose-Hoover' 'yes' 'Andersen' 'Andersen-interval'" separately.</font></div><div><font size="4"></font> </div><div><font size="4">I am looking forward to getting your reply.</font></div><div><font size="4"></font> </div><div><font size="4">Cheers,</font></div><div><font size="4"></font> </div><div><font size="4">Acoot</font></div><div><br></div></div></body></html>