The head of a SDS molecule is a sodium sulfate, and I want to transfer the parameters of the force field of this sulfate to another sulfate molecule with no hydrocarbon tail in my molecular dynamics simulation, is it valid?
Dear Maria,
I suggest that you check if there is the same molecule in the desired force field. It is the easiest way to get one good molecule.
If you do not have the molecule in the FF, you should make some adjusts in the molecule to use it in another system. For example checking the liquid charge and a possible new distribution, bond length in the region where the tail was placed. Basically you will keep the "root" of the molecule without changes.
Regards,
Danilo
Sulphate anion is quite common molecule. There must be large number of parameters better than those taken from SDS. It seems that google gives couple of useful links by asking "sulfate parameters amber" (or charmm).
You may start here: http://onlinelibrary.wiley.com/doi/10.1002/jcc.540160106/abstract
Also searching for the most compatible parameters (wrt to the rest of your system) might be a better idea than searching for the most physical ones.
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