> [EMAIL PROTECTED] wrote: >> Dear David, >> >> Thanks for your reply. >> pls suggest how to get rid of these warning messages. >> I do not find where is the mistake. >> >> Thank you very much. >> sunita >> > > could it be that you have done more than two billion time steps? in that > case the step counter overflows and becomes negative.
Thanks a lot. It must be the reasons as you said the time steps are more than two billions. Even for the time step of more than 0.2 billions I am getting the same warning messages. I write energies at every 0.5 ps. Probably thats why for smaller time steps there was no problem. One way I can see is to make fragments less than 0.2 billion steps. But it seems cumbersome to me for analysing many fragments of .edr files. Is there anything wrong if I ignore the warning messages and take final 600ns concatinated file for analysis or there is other way to solve it. Thank you very much David. Regards, Sunita > > -- > David. > ________________________________________________________________________ > David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: 46 18 471 4205 fax: 46 18 511 755 > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > 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 > _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
