Expected amount of time required for running a MD Simulation

The file size hasn’t changed for the last 4 hours, is something wrong.

Hi Anurabh,

your simulations are still queued. They should be finished by tomorrow.

That said, please remember that only simulations up to 500 ps are allowed in our server due to the limitations in computer resources, so I strongly recommend you to download the MD configuration files prepared by the server and try to run it in your own machines. MDWeb was designed to setup systems.

Also, the software used behind it is quite outdated now, please take a look at the BioExcel Building Block library and workflows, which are a continuation of the work done in MDWeb, but much more powerful.

Hope it helps!


Hi adam.hospital,
Thank you so much for taking the time to reply, I will set up the simulation in my machine.
Yours sincerely,