Can two forcefields (GROMOS53A6 for protein and CHARMM36 for lipid) be used for a protein-membrane simulation?
It is absolutely necessary for me to use various kinds of membranes which mimic the biological systems. And specifically for this, I can not use Tieleman's DPPC or DPPE only models. And, my system is sufficiently large (almost of 250k atoms). I am using GROMACS 5.1.4 for simulation.
I have read in a separate question where Justin Lemkul wrote it is "generally" not a good idea to use two different forcefields. But, in this case, this approach will save my time actually.
Please shed some light on this.
For the same simulation, it is always best to use a type of forcefield without mixing with others.
@Dr. Abel, only problem with MemBuilder is it does not support Cholesterol moieties. At least I didn't find one. If you can suggest me the name or another server for that which gives output in GROMOS53A6 forcefield, it would serve a lot.
Thanks.
@All who follow, is it unscientific to generate the lipid topology from CHARMM-GUI and then convert it to GROMOS format by copying the parameters from Tieleman's itp file and taking the name from CHARMM-GUI file? Connectivity information will need to be updated as I will be converting from an all-atom ff to a united-atom ff.
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