GROMACS version: 4.5.6
GROMACS modification: Yes/No
I’m building a system to evaluate the interfacial tension of the water-oil interface. Recently, I found a paper reporting that tip4p/2005 follows the experiment data of the water-air surface tension very well. So, I’m very tempted to use tip4p/2005 instead of tip3p.
But I’m not sure if tip4p/2005 is compatible with charmm27.ff (the forcefield I have been used for oil molecules)? If not, is it okay with charmm36.ff? Which forcefield is the best set with tip4p/2005?
I would really appreciate it if someone can help me with the questions.