[gmx-users] too long a simulation.

Tsjerk Wassenaar tsjerkw at gmail.com
Mon May 29 09:58:13 CEST 2006

Hi Karamyog,

You fail to mention what type of simulation (EM? MD?) and how long you're
trying to simulation (ps? ns? mus?). 8 hrs doesn't sound very long to me if
it's for a production run. I usually count months. But then again, your
system is in fact small to my standards ;)



On 5/26/06, karamyog singh <karamyog.singh at gmail.com> wrote:
> Dear gromaxers, I havea system of 6500 atoms. Gromacs shows that the
> simulation will take 8 hrs to complete the simulation. Is my system that
> large? The system is 15x15x15 units cells of Fe. so the the total box size
> is 4.305. I have tken cu-offs for LJ as 1.55. There is only LJ
> interaction. rslist is 1.55 too.
> -
> karamyog
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Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336
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