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

Rossen Apostolov rossen.apostolov at cbr.su.se
Sun Aug 1 23:03:02 CEST 2010

  On 07/31/2010 10:17 PM, ms wrote:
> 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.
As far as I know it's production ready code, but still - this is a beta 
release so I would do some local testing first.

I've put an updated version on the website: 

Here is the direct link:


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