Build PLUMED on bridges2
./configure --prefix=[My_Path] --enable-mpi CXX="$MPICXX"
make -j 4
make install
To remove PLUMED, remove
[My_Path]/bin/plumed*
[My_Path]/include/plumed
[My_Path]/lib/plumed
[My_Path]/lib/pkgconfig/plumed*
[My_Path]/lib/libplumed*
Post-analysis
plumed driver --plumed plumed.dat --mf_pdb aladip.pdb
plumed driver --plumed plumed.dat --mf_xtc md.xtc
Add to PATH variable:
- Go to
~/.zshrc - Place
export PATH="[My_Path]/bin:$PATH"