Good Morning Everyone.
I am somewhat disappointed in the wait times associated with using the Polymer Builder. All of my attempts have been with examples from the Polymer Tutorial (Some of it is out of date, and the interface doesn't correspond to the tutorial text.).
The tutorial for Single Polymer chain takes a while but finishes.
The tutorials for Dilute Solution and Melt are impossible. Yesterday, I tried the Melt Tutorial, but it didn't finish after hours. A similar problem occurred with Dilute Solution tutorial.
Why? Perhaps, the GPU processors are oversubscribed?
Why can't ALL the files needed for a given project be combined in a tar.gz file, so that a user can run them her/himself on their computer instead of waiting for hours for something to happen? Some of the files eventually become available at the very end (equilibration and production), but how about providing ALL of the files? It would be similar to buying frozen pizza dough and making pizza at home instead of going out to pick up an already prepared pizza.
I was so happy when CHARMM was made freely available a while ago. For many years I had to struggle to get a copy, Not it seems that the same idea is recurring in a different manner with the CHARMM-GUI. I would like to have the flexibility to have ALL input files so that I can have more flexibility. I understand that a great deal of proprietary intellectual effort was involved to develop the CHARMM-GUI. That is also true of the CHARMM forcefield. That is also true of CHARMM itself. But, both of them are freely available to the scientific community.
Thanks so much for your willingness to read this.