A few days ago I performed some simulations on MDWeb. Then I tried to repeat the process in different temperature, from the same setup files - and I’ve received an error (the simulation started, kept going for a day or two, but then I didn’t receive any files, only an orange exclamation mark). Has anybody encountered similar problems?
last week we had an unexpected computer cluster shutdown As a result, all jobs were canceled. I would like to ask you if you can try to launch them again.
Really sorry for the inconveniences, and thanks for your interest in our tools!
Respected Sir/ Madam
I used MD Web for MD simulation study 6 months ago during the lockdown period. I wrote a paper after that. The paper is in review now and the reviewer wants me to perform docking for 3 drugs. So I need this MD simulation service as soon as possible because they gave me a very short time to answer. I am trying to use the website for the last two days but the process is not starting. Please help me. Your cooperation is highly needed.
we have experienced an unexpected peak of jobs during this month, and the infrastructure working behind the server is being affected by that. We are currently working on temporarily expanding the number of computer nodes to absorb this peak.
Please be patient and contact us again if you jobs are not starting during the next days.