[gmx-users] how to start simulation of a peptide in bilayer

Mark Abraham Mark.Abraham at anu.edu.au
Wed Nov 1 13:48:15 CET 2006

nur avneet wrote:
> I am new to gromacs and need guidance to start a simulation of a peptide 
> in bilayer.
> Please guide

You need to learn to walk before you start to run. I agree with all of 
Tserjk's advice earlier. Further, I'd suggest you do all of the 
background he suggests, and then start your work of immediate interest 
by simulating that peptide in some solvent (water for ease of use), and 
then your bilayer on its own and get those working sensibly before you 
even contemplate doing a simulation of that peptide in the bilayer.


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