[gmx-users] upgrade version - "make distclean"?

David van der Spoel spoel at xray.bmc.uu.se
Wed Apr 30 09:12:48 CEST 2008

Low Soo Mei wrote:
> Hi,
> I would like to upgrade from version 3.3.2 to 3.3.3 on my local 
> computer, non-parallel for both.  Can I confirm that I should
> 1)  cd to the gromacs-3.3.2 directory
> 2) type "make distclean"
> 3) then delete the entire gromacs-3.3.2 directory
> , to clean 3.3.2 off my computer entirely?
You can skip the make distclean, but could try make uninstall.

Anyway, when you install make sure that everything from the old version 
is overwritten or removed, you can check by dates.

> I am still optimizing my MD simulations and would like to attribute 
> simulation errors to only my simulation parameters and not to some 
> installation/upgrade problem.  No previous advice on upgrading was 
> available from Google or the Gromacs wiki or mailing lists.
> Thanks in advance.
> Cheers,
> Soo Mei
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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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