Anton Goloborodko

awesome! Please, let me know if you need any help or would like to bounce ideas! Re: potential issues - agreed, in my experience, most if not all tools accept...

wow, thanks a lot! It's going to take some time for me to test it, but I 100% will. Thank you for your work!!

could we have something similar in Python API, pretty please? Again, balancing parameters are just impossible to discover without googling

+1 to a potential feature request! My colleague had the same problem a week ago.

i wonder if tricks like this one deserve an ipynb and/or a page in sphinx docs?.. On Tue, 2 Jun 2020 at 10:43, lauradmartens wrote: > Thanks a lot! I...

Dear Peter, out of curiosity, do you still plan to implement DPD in OpenMM? The reason I'm asking is that I found that DPD can lead to some crazy speed-ups...

Hi Gianni, many thanks for answering! This is an excellent question, indeed! As I've mentioned, I use MD to perform coarse-grained simulations of soft biological matter, predominantly chromosomes. For this...

Yes, I agree that implementing hydrodynamics is more about new physics, rather than a mere speed-up. In my message above, I formulated DPD's advantage rather narrowly, only b/c the specific...

thank you!

Hi, I have no solution, but these two regions look clearly different to me - that is if they are coming from different maps or different regions of a map...