[gmx-users] Implicit Membrane Protein Simulation using GROMACS

Mark Abraham Mark.Abraham at anu.edu.au
Sat Dec 6 14:34:46 CET 2008


sunita gupta wrote:
> Hi, All
> 
> I am a new user to gromacs and want to do implicit MD of membrane 
> protein using gromacs. Most of the papers i have gone through deals with 
> coarse-grain simulation of membrane protein, but i want to do atomistic 
> MD (not CG). Can anyone suggest that does gromacs have the parameters 
> for doing implicit membrane-protein MD? and if its tutorail is available?

GROMACS has no algorithm for implicit solvation. Consider AMBER, but 
doubtless others.

Mark



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