ran the reweighting > with different PLUMED versions (2.9.3, 2.10.0, and git-master). > > What surprised me is that I obtain significantly different FES estimates >

true for OPES or OPES_METAD, though this period will be much smaller. OPES_METAD's rct should not be used for reweighting, since its bias is already reweight-ready. So, OPES bias

used an OPES with funnel and two collective variables as my > sampling technique. > I ask for your help in interpreting the following graphs to see if I am > doing something wrong

invemichele/opes/blob/master/postprocessing/FES_from_Reweighting.py#L46 > (there is also an option --reverse, that I find useful to see the effect > of different truncation

, the reweighting factor c(t) should also be taken into account (see > Eq. 11 in the manuscript), and the *.rbias* column be used, similar to > FES reweighting. > > Nonetheless

to use reweighting and perform multiple independent simulations to estimate the uncertainty, rather than relying on block average. Best, Michele On Mon, Nov 13, 2023 at 6:20 PM '

, the reweighting procedure should give the correct answer. I see possible explanations: 1. There is a bug somewhere in the reweighting script, and you are not really comparing the

questions about OPES :) 1. Generally speaking, a well-tempered target distribution leads to better convergence and to higher sampling efficiency when reweighting. One might want

use the reweighting procedure as you said in my case. And could you please tell me which reference this method is from？Because maybe I need to cite this literature in my paper. Best regards

invemichele/OPES-explore/tree/main/ala4/combined_multiT-psi > If the resulting sampling is good, then I think this is the best approach, > it will give you a quasi-static

FES from reweighting has no upper bound, but you should only visualize it > below a reasonable value, eg 16, since that is the region you actually > care about. You can for example

]'opes/COLVAR'u >>>>>> 2:(-1/(1-1./gamma)*$4+shift):($1/1000) pt 7pal,'ref-fes.dat'w l dt 2 lw 3 >>>>>> lc 0 >

invemichele/opes/blob/master/ala2/Colvar-metad.0.data > > Personally, in order to better understand the c(t), I found it useful to > play around with a simple model