[gmx-users] urea topology for MARTINI (CGMD)
x.periole at rug.nl
Tue May 11 16:18:12 CEST 2010
There is no Urea topology for Martini FF. Would be very interesting to
you need to look for some properties that you be able to reproduce.
have a look at the papers!
Typically you need to find logP (partitioning data) between different
media and and reproduce it using some Martini bead type ... and in
the case of Urea you might need to define a new type ...
On May 11, 2010, at 3:38 PM, Luca Mollica wrote:
> Dear all,
> I am looking for a urea topology for some CGMD simulations performed
> with the MARTINI FF.
> Actually I am planning to design it on my own, but in case at least
> a "source of inspiration" (I have found no papers about the issue)
> would be appreciated.
> Luca Mollica
> Protein Dynamics and Flexibility by NMR
> Institut de Biologie Structurale
> 41 Rue Jules Horowitz
> E-mail: luca.mollica at ibs.fr (lucamollica at gmail.com)
> Telephone: +33.438783889
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