[gmx-users] versiongromacs

Justin A. Lemkul jalemkul at vt.edu
Sat Nov 8 20:38:27 CET 2008

shahrbanoo karbalaee wrote:
> Dear  justin
> hi,
> I minimized my peptides with gromacs 3,3,3 .Can I  use this files
> (em.gro) for pr  and md  with  gromacs 3,3,1.?

Maybe, but it always best to keep consistent with the same version of Gromacs. 
Version 3.3.3 introduces some bug fixes over 3.3.1, at the very least.  Not to 
mention the questions reviewers might raise about your work if you did different 
parts of your simulations in different versions - you are inviting criticism.


> best


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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