olchain/install/openmpi-4.0.1/include -I/home/wlc/cp2k-7.1/tools/to olchain/install/openmpi...
A command line application to launch molecular dynamics simulations with OpenMM Some cool features No coding required - just a YAML input file! Smart support for different input file formats: Topology: PDB/PDBx, Mol2, Amber's PRMTOP, Charmm's PSF, Gromacs' TOP, Desmond's DMS Positions: PDB...
docker-io-zsh-completion.x86_64 : zsh completion files for docker gromacs-zsh.noarch : GROMACS zsh support python-twisted-core-zsh.x86_64 : Tab completion for Zsh and Twisted Core zsh-html.x86_64 : Zsh shell manual in html format zsh.x86_64 : A powerful interactive shell 1. 2. 3. 4...