Hi, Hyunbin! This is a big topic, but one that comes up fairly frequently on this list. I'll be brief, others may have more to say. If anyone knows a good review article on the topic of "how do I make best-guess choices for a popgen simulation, and which ones
matter", say so? (Or, write one?)
A lot of the answers depends on your goals. You say you're simulating "the evolution of modern rice", so I'll take the goal to be to create a simulation that looks, more or less, like our current understanding of modern rice evolution. And, I'll assume you're
just looking at O. sativa.
(1) What should you use for the population size? Well, choosing this based on heterozygosity of your varieties sounds like a good start? For the purpose of simulating evolution of modern rice, one important thing would be to get roughly the right amount of
genetic diversity that was available at the time. By taking modern heterozygosity between these 17 breeds, you're assuming that genetic diversity available at the time is similar to what it is today (and that those 17 breeds aren't particularly closely related).
If rice went through a significant bottleneck then you'd probably want a larger ancestral population size (based on wild rice relatives maybe? Or just a wild guess?) and then a smaller size for domestication.
(2) What deleterious distribution of fitness effects (DFE) should you use? The easiest would be to use a Gamma and take parameters estimated for some other species (whatever species you can find that seems least dissimilar?). Another approach here would be
to use a program that estimates the DFE, reviewed here:
https://academic.oup.com/mbe/article-abstract/42/11/msaf236/8263265.
(3) Should I use the actual genome sequence and a nucleotide model? I don't have a strong opinion on this? It really shouldn't matter - AFAIK - at all whether you use the standard mutation model (with stacking, etc) or a nucleotide model. Both are approximations,
and the differences are going to be small (since most variant sites have only a single mutation). However, assigning different DFEs in different annotated regions (coding, introns, etc) is probably a fine idea (see the paper above) and not too hard.
Another question you might have asked is whether you should use the VCFs to try to match allele frequencies. You didn't ask so probably you know, but the short answer here is no: your simulation you certainly won't have the same set of SNPs as in the real
data (since this is a random outcome!).
Happy SliMulating!
Peter