[gmx-users] simulation of two peptides

Mark Abraham Mark.Abraham at anu.edu.au
Thu Dec 7 02:12:32 CET 2006

Owen, Michael wrote:
> Hello,
> What are the necessary steps to set up and run a simulation of two peptides?

It'll be the same... set up your topologies (suggest one molecule in 
each of two .itp files) #include them in the .top file, pick a starting 
configuration for both of them in the same structure file, solvate, 
minimize, equilibrate, go.


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