Message boards : News : New Year, New WUs/experiment!
Author | Message |
---|---|
Happy New Year, | |
ID: 20148 | Rating: 0 | rate: / Reply Quote | |
For now it is a test run where we will try to compute the binding affinity (using the method set up with the *pYEEI* and *TRYP* batches) and see if we get anything reasonable. The system is a big a** one: 80k atoms versus the 30-40k we got you used to. However, the simulation time is half to normal (2.5ns now), which on average should make about the same length in computing time than usual. | |
ID: 20149 | Rating: 0 | rate: / Reply Quote | |
Message boards : News : New Year, New WUs/experiment!