[gmx-users] GROMACS-4.5-beta1 is out!

ms devicerandom at gmail.com
Sat Jul 31 22:17:42 CEST 2010


As a young GROMACS user, thank you a lot! I just want to ask:

On 30/07/10 20:20, Rossen Apostolov wrote:
> * Efficient Generalized-Born implicit solvent support including the
> Still/HCT/OBC-models to compute the Born radii, a novel way of
> tabulating the generalized Born-interaction formula for greater
> speed, and optimized SSE-routines for both cut-off and all-vs-all
> simulations.

- Is there a 4.5 version of the manual which documents the implicit 
solvent feature?
- It is already tested enough that one can be comfortable (albeit 
cautious) using it for real work, or does it require a lot of testing, 
in your opinion?

thanks again!

m.



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