Reviewer 1 Comment 6

[ramess101]

@mrshirts @jpotoff @msoroush

On page 10 in the last paragraph, the authors state that they use CBMC moves to enhance the insertion acceptance rate. It would be nice to show the actual acceptance ratio from sample simulations in the supporting information.

@msoroush I assume GOMC outputs these values somewhere in the log file. I am not sure how we would want to present these results (figure or table?) and how many systems we would need to include (a single example or all of the systems?). How would you recommend we present the acceptance ratio data?

[jpotoff]

@ramess101 @msoroush I suggest we grab a couple of "representative" systems and present the acceptance rates in the supporting info as a table. Not worthy of a figure.

[ramess101]

@msoroush What systems (compounds, state points) would be best? And where can I find these acceptance rates?

[mrshirts]

The point of the paper is not the acceptance rate, so yes, supporting info.

[msoroush]

@ramess101 @jpotoff Here are the average insertion/deletion over 20 replicas for 30A and 35A box size. For lower temperature liquid phase, I am using higher CBMC. You can find all simulation details in these files.

Acceptance_30A.txt Acceptance_35A.txt

[ramess101]

@msoroush

Perfect! Thanks