browndye-users-l

Aha! I did find a way to instruct parmed to leave out the CRYST line. For future reference, for the

Dear Browndye users, A new release is out that fixes a bug in the constraint satisfier. If your

Hi Gary, Thank you so much! Best, Conor On Friday, November 3, 2023 at 4:13:30 PM UTC-4 gahu...@gmail

Dear Browndye users, I've fixed a bug that was sometimes causing born_integral to crash when

Hi Gary I repeated the tutorial with the release from yesterday and I no longer see the segfault.

Dear Browndye Users, A new release is out. First of all, there have been some difficulties with

Hi Gary, I have been trying to apply the CHARMM46 forcefield in Browndye, but am hitting a roadblock

Hi Gary, No problem on the delay. Thanks so much for your help! Best, Conor On Monday, August 7, 2023

Hi All, Ah yes, that makes sense, Robert. Also, Gary, I realized what the problem was - I had been

Dear Gary and Lane, Thank you both for your valuable suggestions. I will go ahead accordingly. Best

Dear Browndye users, The latest release fixes a bug in born_integral that could cause a crash if the

Hi, again, folks, I forgot to thank also Abraham Muñiz Chicharro from the Wade group for helping with

Dear Users, A new release is now on the website. I have added a new option to the born_integral

Correct; we do not have a separate exclusion grid like SDA. It's all done through the LJ forces.

Hi, Jakob, Yes, I recently got rid of the -traj option and now the trajectory.xml file comes in

Dear Browndye users, I have fixed a bug that was causing some weighted-ensemble simulations to crash.

Dear Browndye users, A new release is available, fixing bugs that caused it to freeze for the case of

Dear Browndye developers, We (myself and @https://github.com/vaibhavadixit) have been attempting to

Hi, I do this frequently, but most of the dependencies need to be installed independently from the

Dear Browndye users, We have released a new version, the first since this summer. Here's a

Dear Browndye Users, Our new release fixes a bug that was causing build_bins to crash for the

Dear Browndye users, We released a new version, fixing a bug in bd_top. This might affect you if you

Hi Gary, I'm looking at the results.xml file, trying to use Browndye 2 to recreate a Smoluchowski

Hi Gerald, Good to hear you were able to finish the compilation! It's interesting that your

Dear Browndye users, I have posted a new release of Browndye 2. Most importantly, this fixed a bug

Thanks for the suggestion Gerald, and thank you Robert for the link, that seemed to work well. Lane

Dear Browndye users, We have a new release. A new feature is the ability to define a "restraint

Dear Browndye users, The latest release fixes some bugs I found while doing a simulation of a

Dear Browndye Users, We have a new release. Among other things, this release includes the ability to

Dear Browndye users, I've just fixed a bug, introduced with the recent constant time step option,