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Hello all.
I have a non-standard residue in Amber format (off/frcmod) and I need it in CHARMM format.
Loading the .off / .frcmod works well. But I have no idea where to go from here to export in …
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**Is your feature request related to a problem? Please describe.**
see #431
**Describe the solution you'd like**
i think that we should add rust-like compile time macros, like `env!()` in this c…
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## All packers
`packer amber example.exe`
```bash
00:00:00.586 [ERROR] [Errno 2] No such file or directory: 'amber'
```
## UPX works
`packer upx example.exe`
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琥珀
![image](https://user-images.githubusercontent.com/96326382/190883768-7a4d489b-3542-41f0-9ead-4cc29042e158.png)
![image](https://user-images.githubusercontent.com/96326382/190883792-9f4dd1f4-67a…
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I use [RustRover](https://www.jetbrains.com/rust/) for Rust development. This creates a hidden directory `.idea`, which shows up as an untracked file in the `git status` output:
```
$ git status
…
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import parmed as pmd
amber = pmd.load_file('FEB.frcmod')
amber.save('FEB.psf')
Got this error message:
AttributeError: 'AmberParameterSet' object has no attribute 'save'
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In this way they are sandboxed (I execute them on my machine I dont want to have issues).
Following @CymDeveloppement proposal we can do something like:
```
import * from "std"
main {
let…
Mte90 updated
1 month ago
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Having both the source Amber files and the generated Bash files checked out in Git leads to inconsistency. For example see PR #457, which updates generated Bash files, as they were outdated.
Instead,…
mks-h updated
4 hours ago
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**Description:**
I am experiencing issues when trying to use the Amber Framework on the Windows platform. Although Crystal can now be compiled on Windows, Amber Framework still faces some challenges.…
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as described in this guide : http://pgas.freeshell.org/mirror/ABSlocalization.html
localization is possible with dollar sign before double quotes
```
cd $var || error $"Can't cd to %s." "$var"
rea…