[gmx-users] Updating/upgrading GROMACS

Gregory Poon gpoon at gsu.edu
Thu Mar 2 18:03:06 CET 2017

Hello all:

I would like to get some advice on updating/upgrading an existing 
GROMACS installation.  I realize that this may actually be a more 
general UNIX/ubuntu question, but I really would like to not foul this 
up on the local machines that we really need to keep running. In 
particular, could I do something as naive-sounding as renaming the 
existing folder in /usr/local/ and proceeding with a new installation?  
Would linking to the GPU library complicate matters?

If it matters, we have machines that are running 5.1.4 and 2016.1 that I 
would like to have 2016.2 running.

Many thanks in advance,

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