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Excuse me, I have the following question
files（dihedral_bend.cpp）：
error: expression cannot be used as a function
391 | force->bounds(arg[0],atom->ndihedraltypes,ilo,ihi);
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Dear developer,
I am using the OPLS-AA parameters from the file oplsaa.lt. May I ask for the improper dihedral X_X_003_004, which one should be the center atom?
 and …
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When Foyer fails to assign parameters (especially for dihedrals), it should identify the parameter types that it could not find in the XML file.
[example.zip](https://github.com/mosdef-hub/foyer/f…
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Defect - Page not found
Steps to reproduce - open the further reading section -> try opening the link provided in 11 line
Expected - it should have opened a page that contains details on SHM
Actual…
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Defect Description :
Links provided as plain text unlike hyperlinks.
Steps to reproduce the issue :
Go to main page.
Go to 'Computer science and Engineering' under 'Broad areas of virtual labs'.
…
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Reference: https://pubs.acs.org/doi/10.1021/acs.jctc.9b00591 or https://chemrxiv.org/engage/chemrxiv/article-details/60c7426b0f50db0f23395cd7
From the Amber22 manual, "ff19SB [19] is the latest mod…
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**Is your feature request related to a problem? Please describe.**
I'm interested in using xTB for dihedral scan with torsiondrive.
**Describe the solution you'd like**
I would like to have text …
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Introduce the command `ark assets`:
* Gets all assets paths with a `sectionid`
* Gets all used assetrefs within a file with a `pageid`
* Doesn't work with a `questionid`
Introduce new kind of sy…
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I encountered a RuntimeError when running the ad.run() function using a dihedral with an atom name containing a single quote (e.g., "O3'"). Here's the code I used:
```py
atom1_alpha_Dihang_residue…