Skip to content

GitLab

Explore

Sign in

Primary navigation

Project

P

Plumed AlphaFold
- Activity
- Members
- Labels
- Terraform modules
- Incidents
- Service Desk

Snippets Groups Projects

e9dae359

There was an error fetching the commit references. Please try again later.

Commit e9dae359 authored 5 years ago by carlocamilloni

Downloads
- Patches
- Plain Diff

gmx2019: now it compiles but I tested only

on a single aladp metadynamics (that works)
more test are needed
- parallel stuff
- replica exchange
- hrex
- gpu

parent dcdde4c3

No related branches found

No related tags found

No related merge requests found

Changes 6

Hide whitespace changes

Inline Side-by-side

Showing

patches/gromacs-2019.1.diff/src/gromacs/CMakeLists.txt 2 additions, 0 deletions

patches/gromacs-2019.1.diff/src/gromacs/CMakeLists.txt
patches/gromacs-2019.1.diff/src/gromacs/mdlib/force.cpp 1 addition, 0 deletions

patches/gromacs-2019.1.diff/src/gromacs/mdlib/force.cpp
patches/gromacs-2019.1.diff/src/gromacs/mdrun/legacymdrunoptions.cpp 0 additions, 7 deletions

...macs-2019.1.diff/src/gromacs/mdrun/legacymdrunoptions.cpp
patches/gromacs-2019.1.diff/src/gromacs/mdrun/legacymdrunoptions.h 1 addition, 1 deletion

...romacs-2019.1.diff/src/gromacs/mdrun/legacymdrunoptions.h
patches/gromacs-2019.1.diff/src/gromacs/mdrun/replicaexchange.cpp 1 addition, 1 deletion

...gromacs-2019.1.diff/src/gromacs/mdrun/replicaexchange.cpp
patches/gromacs-2019.1.diff/src/gromacs/mdrun/runner.cpp 0 additions, 5 deletions

patches/gromacs-2019.1.diff/src/gromacs/mdrun/runner.cpp

with 5 additions and 14 deletions

Loading

0% Loading or .

You are about to add 0 people to the discussion. Proceed with caution.

Finish editing this message first!

Please register or sign in to comment