[gmx-users] ffamber updates

[Maik Goette]

Hi Eric

Thanks for doing that great job concerning the amberFF for GROMACS.
I recently came across this paper:
http://www.biophysj.org/cgi/content/abstract/92/11/3817?maxtoshow=&HITS=10&hits=10&RESULTFORMAT=&searchid=1&FIRSTINDEX=0&volume=92&firstpage=3817&resourcetype=HWCIT

There Perez et al refined new alpha/gamma angles for nucleic acids. They 
claim, that these dihedrals in the original amber99 lead to irreversible 
  transitions, which have an influence on the correct conformation of 
NA-strands.

I thought about including them in the amber99-GROMACS port, but maybe 
it's better if you do, because you have more experience in building the 
amber-ports. What do you think?

I didn't read the paper according to your 99sb-port yet. Do you think it 
makes sense to switch from the amber99 to amber99sb?

Regards

Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Germany
Tel.  : ++49 551 201 2310
Fax   : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
         mgoette2[at]gwdg.de
WWW   : http://www.mpibpc.gwdg.de/groups/grubmueller/


Eric J. Sorin wrote:
> Hi GROMACS users,
> 
> We've updated our ffamber ports to include the AMBER-99SB force field. 
> Please visit the new website for information and downloads: 
> http://chemistry.csulb.edu/ffamber/.
> 
> Eric _______________________________________________
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