Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

These are the added instructions to run the MoSDeF builds for GOMC a… #45

Merged
merged 4 commits into from
Nov 22, 2020
Merged

These are the added instructions to run the MoSDeF builds for GOMC a… #45

merged 4 commits into from
Nov 22, 2020

Commits on Nov 7, 2020

  1. These are the added instructions to run the MoSDeF builds for GOMC a… 

    …nd the GOMC simulations
    @bc118
    bc118 committed Nov 7, 2020
    Configuration menu
    Copy the full SHA
    db87555 View commit details
    Browse the repository at this point in the history

Commits on Nov 11, 2020

  1. added the charmm file writer to the utils folder and combined all its… 

    … required file and functions in that one file. Changed the GOMC file builders to run off this.
    @bc118
    bc118 committed Nov 11, 2020
    Configuration menu
    Copy the full SHA
    1a01f8d View commit details
    Browse the repository at this point in the history

Commits on Nov 12, 2020

  1. added the import sys to all the build files. replaced water.energy_mi… 

    …nimization with water.energy_minimize for all the build files.
    @bc118
    bc118 committed Nov 12, 2020
    Configuration menu
    Copy the full SHA
    24ad696 View commit details
    Browse the repository at this point in the history

  2. fixed typo for graphene in mosdef_slitpore/simulations/nvt-pore/1x1x1… 

    ….0nm_1-layer/gomc/README.md
    @bc118
    bc118 committed Nov 12, 2020
    Configuration menu
    Copy the full SHA
    0bc30f9 View commit details
    Browse the repository at this point in the history