Hi! Thanks for your mail. I used two different operating systems and in both I found this problem of the energy file recurring!! Well I will go ahead and use the tpdconv to extend the simulations. Thanks JJ On Sun, Apr 5, 2009 at 4:38 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote:
> jayant james wrote: > >> >> Hi! >> I ran a simulation for 1ns and I find that the energy file has been >> written only till 627 ps. I am wondering how to extend my simulations as I >> need the energy file (simulated with 1bar pressure)!!! >> I wonder why this is happening on a consistent basis. I cannot think of >> the energy file being large nor the operating system not being able to write >> it, because the .trr file is much larger than this file and is being written >> down succedfully till 1000ps. I am using GMX 4.0. >> I welcome any suggestions on how to extend the MD run and to overcome this >> energy file problem. >> > > You should be running version 4.0.4, and either way using checkpoints for > your restarts. There's no GROMACS-related reason why your energy file should > stop being written. It's rather more likely you or your filesystem have done > something to cause the observations, but we can't tell what on this > information. > > Mark > _______________________________________________ > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Jayasundar Jayant James www.chick.com/reading/tracts/0096/0096_01.asp)
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