[gmx-users] Functional Mode Analysis (FMA)

Eduardo Diniz dududiniz94 at hotmail.com
Thu Sep 6 17:22:57 CEST 2018


I'd like to know if the current version of gromacs has the fma tool, as described in this paper:

  *   https://doi.org/10.1371/journal.pcbi.1000480

It is said in this page: http://www3.mpibpc.mpg.de/groups/de_groot/fma.html , that the fma tool should be included from version 5.1 onwards. Also in this page they say that one can use fma tool with gromacs version 4.0.7. As I don't know how to install this old version, I just used a bash script provided here: http://cmb.bio.uni-goettingen.de/fma.html . It installed successfully, but I don't know how to source the executables (in recent gromacs version I  would only have to add

source /usr/local/gromacs/bin/GMXRC

on bash.rc) . Sorry if those a fool questions. Hope anyone can help me.


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