Gromacs moving on

[Allan]

Gromacs units are now being released to the "public"!!!



Posted by Vijay Pande at the folding community:
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We started using Gromacs in F@H in order to really "push the limits" on what we could do. Gro should (and does) give us a 10x speed increase over Tinker and we're continuing to improve Gro in order to push that even further.

I'd like to thank all that have helped with the beta and advmethods testing. With their help, several bugs have been found and we've made several tweaks and mods, and consequently Gro stability is very high right now, esp compared to say, 6 months ago. It takes a lot of detective work to find these issues out and our beta/adv team has really come through here.

Therefore, we have started to release Gro WUs into the general F@H public. It's a small trickle right now to be conservative, but we will ramp that up steadily.

With Gromacs, we will now should be able to do some pretty amazing things. The first paper of which has already been submitted! Stay tuned for more info.

Thanks,

Vijay

[Daniel ~]

I got one for each box! ":O}

[Allan]

You were running -advmethods, right?
If so, it doesn't really apply to you!

[Daniel ~]

oh....":O}

[SteveI]

Interesting, since 2 of my boxes AREN'T on gromacs.
All of my machines are either advmethods or beta team.