Quote:
Originally posted by muddocktor
They are good points if running -advmethods is helping Pandegroup get Gromacs working correctly to return valid data, even if the earlier runs showed up as being defective somehow. Running -advmethods gives them a chance to get Gromacs out in controlled wide circulation and I know that at least some of the Gromacs work is doing simulations that have already been done with Tinker in order to check the validity of the data that Gromacs is returning. |
It was just a thought and I know the purpose of -advmethods. At this point though, I do not enough about what is happening with the gromacs core and work units to know if valid data is or is not being returned. That was really a speculative question on my part to those of us who lose sight and chase the points.
The bulk of my original post is in response to leaked information I posted here. What I did originally was self serving instead of serving humanity. This has lead several, including myself, to join the fah beta testers so it is not all bad. It has actually reinvigerated my desire to fold.