On 02/08/11, Marcelino Arciniega Castro <[email protected]> wrote: > Hi there, > > Could someone please help to understand the use of function types 3 and 2 in > the > [pairtypes ] directive in the topology file? > I am trying to used it in a free energy calculation but the gromacs > manual-4.5.4 in the > page 112 is kind of confusing. >
That text mentions a bunch of sub-cases. Without knowing what you want to achieve and what you find unclear, it's hard to offer any help. Mark
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