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bioinfkaustin / gromacs-on-colab

Google Colab notebooks for running molecular dynamics simulations with GROMACS
GNU Affero General Public License v3.0
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time long #1

Closed LiangYat-sen closed 1 year ago

LiangYat-sen commented 1 year ago

GROMACS is downloaded and compiled from source code. (This takes a while.) When I was performing this step, it took too long, even up to 3 hours. I found that manually downloading the linked file only took a few seconds. Looking forward to your reply, thank you. selection

bioinfkaustin commented 1 year ago

Hello @LiangYat-sen, thank you very much for your comment!

Yes, indeed, GROMACS has a very long compilation process. Unfortunately, the GROMACS project does not distribute any official pre-compiled binaries, only source code. However, since we know this tool runs only in Colab, it would be reasonable for us to distribute our own pre-compiled binary for Colab. As you suggest, this would make the installation a lot faster, which would be particularly helpful for free-tier Colab users. I will look into doing this soon (tracked at #2).