[gmx-users] Gromacs with Plumed
bussi at sissa.it
Thu Mar 2 09:25:42 CET 2017
I am not aware of problems, so in case you find any please report them.
If you want to simplify the installation setup, also consider the "patch
--runtime" option. Coupled with env modules, it allows you to upgrade
gromacs and plumed independently and to combine them arbitrarily
On Thu, Mar 2, 2017 at 9:09 AM, Åke Sandgren <ake.sandgren at hpc2n.umu.se>
> Are there any known drawbacks to building Gromacs with Plumed?
> I'm mainly talking about Gromacs 2016 and later, using PLumed 2.3.0,
> both if there are problems with any version combination i'd like to know
> that too.
> I.e., will it cause problems for non-plumed runs, will gromacs behave
> identical to a non-plumed build when not using plumed in the
> plumed-build, etc.?
> Having just a single build makes my life easier :-)
> Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
> Internet: ake at hpc2n.umu.se Phone: +46 90 7866134 Fax: +46 90-580 14
> Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se
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email: bussi at sissa.it
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