-
**Problem Description:**
The eventName and eventPrimaryName fields currently do not have any Field Range Indexes - which are needed for autocomplete.
**Expected Behavior/Solution:**
Force Range …
-
## Summary
For international collaboration a selection of state variables, as well as static and forcing features were selected (see here for reference: [Sheet](https://liuonline-my.sharepoint.com/…
-
Users requested to be able to add force $q_i \mathbf{E}$ to atom $i$.
-
Hey @IAlibay @mikemhenry,
For small molecules, can we now using customized force fields provided by users like myself, other than gaff or espaloma?
Thanks
-
Hello,
Thank you for your great software and helpful issue responses. I am having trouble generating a valid .ff file for an all-atom model of nitrile butadiene, acrylonitrile-butadiene copolymer.…
-
Code similar to body armour - but check for collapse and stun.
-
Allow mods to create force field around themselves so penguins can't come near.
-
In my attempts to model heme coordination with proteins I found the rf2aa/data/parsers.py file (line 784) is loading the "mmff94" forcefield from openbabel which can't accommodate molecules with inorg…
-
https://github.com/ccsb-scripps/AutoDock-Vina/blob/d13f9e93e253573b01ffbb28cfd1e2dd26ff9002/docs/source/docking_hydrated.rst?plain=1#L138
When I use Vina forcefield, I get this error: `ERROR: Affin…
mirjr updated
8 months ago
-
@mrshirts @msoroush @jpotoff
I have repeated the simulations that Mick et al. ran for 2-methylpropane, 2,2-dimethylpropane and 2,2,4-trimethylpentane. The goal of this exercise was to run the GCMC …