Hi expert,
I'd like to add sufactant to water. That means i should first get the
sufactant.gro, and sufactant.top.
Someone said that we cannot get sufactant.gro and sufactant.top through grompp
() sufactant.pdb. Because grompp .pdb could mainly use for macro-biology big
moleculars, which means some proteins etc.
So that means we could not get correct .gro, .top small molecules such as
inorganic or small organic molecules (such asethanol).
So how can we get the sufactant.gro, sufactant.top? and which force field
should we choose for ordinary simulation? I know we often use ffoplass force
field for solution.
Tiefeng
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