The following three types of simulations can be run with the UNRES server: local minimization, molecular dynamics and replica exchange molecular dynamics:
Use the "Save & submit" button to start calculations.
Use the "Refresh" button to check the status of a simulation:
After the server job has been submitted the "waiting in the queue to start" message will be displayed in the status field, which will subsequently change to "running", "postprocessing", and "done". While the job has the "running" status, the percentage of job accomplishment is displayed. It should be noted that the "100%" accomplishment refers to the production phase of a job, after which the postprocessing phase is triggered which also takes some time (up to several minutes when making a movie from an MD trajectory is requested) and whose progress is not monitored. The page is autorefreshed every 30 sec.
Any single job can by accessed later (for at least 14 days) using the address of the web page
displayed after job submission: e.g.
Registered users can save all their jobs and access them later after logging in. Note that the results will be available for a limited period of time, depending on the storage space availability (at least 30 days).