Hi Dan, Here is an example of a study where an Inverse Monte Carlo method has been > used to derive CG potentials for bilayers where the RDFs don't go to 1: > http://onlinelibrary.wiley.com/doi/10.1002/jcc.23610/full >
This paper parametrizes CG potentials in BULK: "In each case, a uniform solution of lipid and water molecules placed and oriented randomly was taken as a starting geometry." and then uses the CG potentials to simulate lipid bilayers. I would suggest you doing the same, since coarse-graining in a slab geometry is less stable. You should only use it if CG potentials derived in BULK are not good enough to reproduce bilayer properties. Denis -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
