[gmx-users] gromacs future development guidelines?

[Jones de Andrade]

Hi Al..

Well, first of all sorry if this message becomes a bit out of the scope of
the list.

Since I've heard a lot of time ago somewhere in here that the gromacs
4.0was "in development", today I remembered that and decided to ask
google to
give this a try.

I basically found this 2 documents concerning it:
http://xray.bmc.uu.se/hajdu/course_stuff/protein-folding.pdf
https://extras.csc.fi/chem/courses/gmx2007/David_Talks/speeding.pdf

Despite the wonderfull observation that with new gromacs plus huge computers
or F at H approaches maybe folding will finally become real, I payed a lot of
attention for the new implementations of the future gromacs's
"incarnations". Unfortunatelly, I could not find too much info on this
(except, of course, for the exciting and promising REMD implementation).

I would like to ask, if possible, what sort of new stuff is to be expected
in the new and official version of gromacs, whenever it comes. My personal
biggest curiosity are the simulation algorithms and force field potentials
that can be choosen to be implemented in a near future. :)

Hoping that this is not one of the questions I should not have asked...  ;)

Thanks for any answer in advance,

Jones
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