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This issue is meant to track the progress of further integration of Colvars, and the Dashboard interface, into VMD. Individual milestones are:
- [x] integrate Dashboard into the standard VMD plugin…
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I updated my VS 2022 preview to 17.0.0 Preview 5.0 [31805.14.d17.0] and running `build.cmd` fails now with:
```console
Send-VsDevShellTelemetry : Could not load file or assembly 'Newtonsoft.Json, …
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Really throws a wrench in things when trying to manipulate a PDB and PSF and have the results be compatible. I have to edit the PDB in ProDy and then use vmd scripting to edit the PSF, so please fix t…
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I have done
```
./download.sh
./buildall.sh --arch arm64 mpv
./buildall.sh
```
but the `libmpv.so` file is missing in the `mpv-android/buildscripts/prefix/arm64/lib` directory
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A topic for discussion: in NAMD, multiple config files can be read using the scripting interface. The most interesting use case for me now is having one file with colvar definitions, written using the…
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Some proposed changes:
### Allow for several colvarscript objects to coexist
- remove the static accessor colvarscript_obj(); instead the commands can be entirely implemented by methods using the…
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python2.7 -m pip install pycontact
DEPRECATION: Python 2.7 reached the end of its life on January 1st, 2020. Please upgrade your Python as Python 2.7 is no longer maintained. pip 21.0 will drop suppo…
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Using 32-bit floats, would reduce the size by a factor of 5, and would be faster to read and process for large-scale analysis programs.
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Would help when looking at several molecules.
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Hello,
I've been attempting to use PyContact to run some analysis on psf and pdb files generated in VMD, and I went through the tutorial with the GUI just fine using the rpn11_ubq files. However when…