bioexcel / gromacs_bpg

https://bioexcel.github.io/gromacs_bpg
0 stars 2 forks source link

Some small changes for workflow #3

Closed alevil-gmx closed 3 years ago

alevil-gmx commented 3 years ago

I have done small correction, where I found things unclear. It may be good to use a real 'mdp' (linked to a specific force field) to avoid to confuse the reader or clearly state that what is there can not use as it is. I will also be good to add link to BIOEXCEL webinar (e.i. mdp parameter webinar). For the future it will be useful to integrate the tools part by taking an idea what is unclear for users (based on the questions/answer on the forum). Those information will feel the gap that the user notice between the tool description in the manual and the use of the tools.