[gmx-users] simulation of two peptides
Mark.Abraham at anu.edu.au
Thu Dec 7 02:12:32 CET 2006
Owen, Michael wrote:
> 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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