[gmx-users] Gromacs with Plumed

Åke Sandgren ake.sandgren at hpc2n.umu.se
Thu Mar 2 09:09:28 CET 2017


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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