[gmx-users] error

Mark Abraham Mark.Abraham at anu.edu.au
Sun Feb 26 06:18:02 CET 2012

On 26/02/2012 3:58 PM, dina dusti wrote:
> Dear Gromacs Specialists,
> My total time for simulation is 600000 ps (600 ns) because I work with 
> MARTINI coarse-grained force field and this time is enough for my system,

Different observables converge over different time scales. The 
autocorrelation time of potential energy in a fine-grained force field 
is around 1ps, but that of the kinetic energy is very much shorter. 
Atomic positions normally much longer.

> but when I do g_analyze -ee, I take this warning:
> Warning: tau2 is longer than the length of the data (864000)
> the statistics might be bad
> Should I increase the total time of simulation but this time is enough?!

We don't have any information with which to judge - and ultimately you 
will need to make this decision yourself.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120226/e5f03857/attachment.html>

More information about the gromacs.org_gmx-users mailing list