[Bulk] [gmx-users] Archiving all the simulation data
tsjerkw at gmail.com
Wed May 17 09:34:58 CEST 2006
There may be some use for velocities. E.g. in velocity autocorrelation, but
in that case you only need short simulations. Other uses could be imagined
though, but I don't think your involved in these (there are no tools yet in
Gromacs at least) :) Still, one thing you should probably do is get rid of
all those solvent molecules you're not interested in (I guess). If required,
you can first select the subset of water molecules that is close to the
On 5/17/06, Yang Ye <leafyoung81-group at yahoo.com> wrote:
> We recently go into some acquisition of cheap SATA-based online storage.
> It is still preferable to have online storage rather than DVD or tape.
> And price-wise, it is cheap now to have TB-level storage.
> Yang Ye
> Dallas B. Warren wrote:
> > Not exactly specific GROMACS question, but looking for some insight for
> > those who are sure to be encountering the same issues.
> > How are people now handling archiving the huge data files that are
> > produced when going to large simulation boxes for long periods of time?
> > Until recently it has been find for me to put them onto DVDs, or may be
> > two or three. But as the sims get bigger, that is getting to be a pain
> > to do.
> > What are the options available? Is there actually anything out there
> > that can archive things when you are looking at 20-50G of data files?
> > Or is the best option to just archive onto hard drives now?
> > Catch ya,
> > Dr. Dallas Warren
> > Lecturer
> > Department of Pharmaceutical Biology and Pharmacology
> > Victorian College of Pharmacy, Monash University
> > 381 Royal Parade, Parkville VIC 3010
> > dallas.warren at vcp.monash.edu.au
> > +61 3 9903 9524
> > ---------------------------------
> > When the only tool you own is a hammer, every problem begins to resemble
> > a nail.
> > _______________________________________________
> > gmx-users mailing list gmx-users at gromacs.org
> > 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 gmx-users-request at gromacs.org.
> > Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> gmx-users mailing list gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
9747AG Groningen, The Netherlands
+31 50 363 4336
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users