Skip to content
Snippets Groups Projects
Commit 8d7e1481 authored by Carlo Camilloni's avatar Carlo Camilloni
Browse files

gmx patches: added notes on how to compile gromacs

with plumed static libraries
parent 667da1b3
No related branches found
No related tags found
No related merge requests found
......@@ -11,6 +11,12 @@ cat << EOF
PLUMED can be incorporated into gromacs using the standard patching procedure.
Patching must be done in the gromacs root directory _before_ the cmake command is invoked.
On clusters you may want to patch gromacs using the static version of plumed, in this case
building gromacs can result in multiple errors. One possible solution is to configure gromacs
with these additional options:
cmake -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON
To enable PLUMED in a gromacs simulation one should use
mdrun with an extra -plumed flag. The flag can be used to
specify the name of the PLUMED input file, e.g.:
......
......@@ -10,6 +10,12 @@ cat << EOF
PLUMED can be incorporated into gromacs using the standard patching procedure.
Patching must be done in the gromacs root directory _before_ the cmake command is invoked.
On clusters you may want to patch gromacs using the static version of plumed, in this case
building gromacs can result in multiple errors. One possible solution is to configure gromacs
with these additional options:
cmake -DBUILD_SHARED_LIBS=OFF -DGMX_PREFER_STATIC_LIBS=ON
To enable PLUMED in a gromacs simulation one should use
mdrun with an extra -plumed flag. The flag can be used to
specify the name of the PLUMED input file, e.g.:
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment