[gmx-users] Re: different versions of Gromacs

Vitaly Chaban vvchaban at gmail.com
Tue Sep 30 12:27:36 CEST 2008

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gurgo> I want to compare the protein results by simulating six systems in personal
gurgo> computer has Gromacs version 3.3.1, due to delay of running jobs in a single
gurgo> computer,I want to run some of my systems in another computer contain
gurgo> Gromacs version 3.3.3 but processor speed machine type everything are same
gurgo> except difference in Gromacs versions.
gurgo> 1.If I run half of jobs in another computer will it show any effect in
gurgo> results?
gurgo> 2. Is there any criteria to run the same systems in different computers?

gurgo> Any suggestions would be appreciated
gurgo> Thanks in advance.

To avoid headache and save time of yourself and others I'd suggest you
to upgrade all your gromacs(es) to 3.3.3. It will not take more than
30 minutes.

Vitaly V. Chaban
School of Chemistry
National University of Kharkiv
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua
skype: vvchaban
tel.: +38-097-8259698

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