Gareth Tribello 7f5a83cb1d Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

..

check-plumed.sh

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

clear-files.sh

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

data.peptide

Added an example

2018-06-29 17:46:51 +01:00

in.peptide-plumed

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

in.peptide-plumed-eng-force-plumed

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

in.peptide-plumed-engforce-ref

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

in.peptide-plumed-expand

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

in.peptide-plumed-lammps-restraint

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

in.peptide-plumed-npt

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

in.peptide-plumed-npt2

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

in.peptide-plumed-plumed-restraint

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

plumed_npt2.dat

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

plumed_npt.dat

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

plumed-eng-ref.dat

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

plumed-engforce.dat

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

plumed-expand.dat

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

plumed-norestraint.dat

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

plumed-restraint.dat

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00

plumed.dat

Added first go at checks on PLUMED interface to LAMMPS

2018-07-02 17:04:19 +01:00