Hi, I understand you are using the Schlitter equation, is that so? Could you give more details? Such as, what subset of atoms are you using to calculate the entropy? Are you calculating it in dt time frames or are your results cumulative? Why do you expect the entropy to decrease?
Regards, Pedro. 2007/10/18, Naser, Md Abu <[EMAIL PROTECTED]>: > > Hi all user, > > I have calculated entroy over time from eigenvalue(g_covar) and > the result shows that the entropy decreasing towards zeo. The results > is ok as far as it decreases. But I do not understand why it is > approaching > to zero towards the end of the simulation. Can anyone explain why? > > I would appreciate your response. > > > With regards, > Abu Naser > > School Of Life Sciences > Heriot-Watt University > Edinburgh EH14 4AS > Email: [EMAIL PROTECTED] > Phone: +44(0)1314518265 > Fax : +44(0) 131 451 3009 > > > > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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