[gmx-users] Using different versions of gromacs for a given simulation

David van der Spoel spoel at xray.bmc.uu.se
Wed May 18 10:36:55 CEST 2005

On Wed, 2005-05-18 at 12:09 +0530, sunita at chem.iitb.ac.in wrote:
> Dear gmx-users,
> I have performed a given simulation in two different versions of gromacs.
> I  have started a simulation in version 3.1.4 and continued extending the
> same simulation in verion 3.2.1.
> Is this procedure of mixing version free from errors?
Check bug fixes in 3.2.1 and see whether your old simulations may be
affected, and if so how serious that is.

> Am I making a mistake by mixing versions.
The problem is reproducibility.

> with regards,
> Sunita Patel
> _______________________________________________
> 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.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

More information about the gromacs.org_gmx-users mailing list