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united atoms for protien?
- albumns
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9 years 9 months ago #3991
by albumns
united atoms for protien? was created by albumns
Hello:
I am going to simulate a big membrane protein and I am just wondering is it possible to treat the protein as united atoms so that we still know some details of protein, while the rest would still be martine particle?
I noticed a recent paper for CHARMM-GUI:
Chem. Info & Model. 2014 (54) 1003-1009
entitled: charmm-gui pace cg builder for solution, micelle, and bilayer coarse-grained simulations
can mix united-atom with cg model.
it would be great if we can also do this with martini.
thank you very much.
I am going to simulate a big membrane protein and I am just wondering is it possible to treat the protein as united atoms so that we still know some details of protein, while the rest would still be martine particle?
I noticed a recent paper for CHARMM-GUI:
Chem. Info & Model. 2014 (54) 1003-1009
entitled: charmm-gui pace cg builder for solution, micelle, and bilayer coarse-grained simulations
can mix united-atom with cg model.
it would be great if we can also do this with martini.
thank you very much.
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- Clement
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9 years 9 months ago #3993
by Clement
Replied by Clement on topic united atoms for protien?
State of the art from our lab:
scitation.aip.org/content/aip/journal/jc.../5/10.1063/1.4863329
.
But... isn't this CHARMM-GUI PACE CG Builder thingy using Martini too?
But... isn't this CHARMM-GUI PACE CG Builder thingy using Martini too?
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