that's nice to hear this news. If possible, would you please also
release the input file for simulations since nobody else outside Amber
developer has any experience for this and there is no documentation yet.
best
Albert
On 09/14/2012 01:21 PM, Gould, Ian R wrote:
> Dear All,
>
> We have just uploaded our GAFFlipid parameters and other associated files to LipidBook:
>
> http://lipidbook.bioch.ox.ac.uk/
>
> If you use our parameters please remember to cite our paper.
>
> Callum J. Dickson , Lula Rosso , Robin M. Betz , Ross C. Walker and Ian R. Gould, GAFFlipid: a General Amber Force Field for the accurate molecular dynamics simulation of phospholipid, Soft Matter 8 (2012), 9617-9627, doi: 10.1039/C2SM26007G<http://dx.doi.org/10.1039/C2SM26007G>
>
> They will also be available from the amber parameter database maintained by Richard Bryce at Manchester in due course.
>
> Cheers
> Ian
>
> Women love us for our defects. If we have enough of them, they will forgive us everything, even our intellects.
> Oscar Wilde,
> --
> Dr Ian R Gould
> Reader in Computational Chemical Biology
> Department of Chemistry
> Imperial College London
> Exhibition Road
> London
> SW7 2AY
> E-mail i.gould.imperial.ac.uk
> http://www3.imperial.ac.uk/people/i.gould
> Tel +44 (0)207 594 5809
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Received on Fri Sep 14 2012 - 06:00:06 PDT
