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:
http://www.gromacs.org/Documentation/Manual
Here is the direct link:
http://www.gromacs.org/@api/deki/files/101/=manual-4.5-beta1.pdf
Rossen
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