[gmx-users] Simulation of membrane protein
Justin A. Lemkul
jalemkul at vt.edu
Fri Oct 21 14:22:39 CEST 2011
> You'll learn far more by discovering it yourself.
I stand by this statement. Perhaps some kind person with sufficient time on
their hands will do your literature searching for you, but I do not, sorry. The
information you need is out there. Start with the primary citation for whatever
force field you want and search databases for citing articles or check out the
references therein. Even Google can pull up very useful results within seconds,
provided you've given sufficiently specific keywords.
> That's why at the present moment I'm examining different force fields
> and their implementation to the different systems. Could you recomend me
> some survey arcticle when I could find something usefull for this ? In
> particular I wounder to know about parametrisation for the membrane
> systems? Previosly I've found that charmm ff is ,ost accurasy in the
> case of such examination but I've not been able to rapametrise my
> bilayers via this ff yet ;x
> On other hand I have not difficulties with GROMOS ff for different
> systems ( e.g I've obtained very stabile systems durins some ns of
> simulations but I dont know about accuracy of the parametrisation of
> this ff in the case of membrane system for example .
> Finally I'm looking for tutorial for simulation of the pure lipids. E.g
> I want to simulate of different physical events on my membrane ( e.g I
> want to overkill my membrane by hyperpolarisation or other electrostatic
> effects emerged on the different steps of my simulation ) Could you also
> recomend me methodical literature for this styding?
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
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Justin A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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