[gmx-users] How to get sufactant.gro, sufactant.top,
ptf1242 at 163.com
Tue Jan 4 08:45:57 CET 2011
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.
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