Skip to content

Running slab simulations for multi-chain MDP-IDR protein complex systems using CALVADOS3 #54

Description

@sreeganb

Hello developers of CALVADOS,

I am interested in running slab simulations to study protein condensates and 

I have large proteins (~1343 residues) with IDRs and folded domains. I was looking
to run 2 simulations, 1) trimer slab simulations of protein A 2) Binary simulations
of protein B with trimer of protein A. I wanted to ask the developers, whether
it is possible to use CALVADOS to run such simulations. If yes, could you point
me to some examples using which I could get these simulations running.
Thanks for the help!

Best,
Sree

Activity

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

      Milestone

      No milestone

      Relationships

      None yet

      Development

      No branches or pull requests

      Issue actions