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### Environment
* BeStride version: 1.0.18
* WoW version: Example 8.1
### Steps to reproduce
Press ESC
Click to Interface
Click AddOns tab
Click BeStride list entry
Click OpenGUI butto…
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Hi
When I want to work with unionized Carbon atoms my ```speciesInitialization.param``` file is:
```
#pragma once
#include "picongpu/particles/InitFunctors.hpp"
namespace picongpu {
namespa…
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Dear developers of gknet:
Hi, thank you all so much for implementing such a powerful tool for MPNN and I believe it is definitely going to be super helpful for the community. I have been closely foll…
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We see a strange behavior in the cross-section as it goes to the free atom region when calculating at low temperatures. For example,
ncrystal_inspectfile MgH2_sg136_MagnesiumHydride.ncmat -c temp=1…
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I would like to develop some guidelines for new contributors how to name their accession and how and when to create new directories. This has become urgent due to some email discussion about new contr…
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Hey there, me again.
I've got all the parts together now and am in the process of soldering the board. I've noticed that on the older board (which still had the rad icon printed on it ;) there was …
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Greetings. I want to calculate the free energy & enthalpy changes for the binding of a series of 1+ small molecule guests, to a neutral macrocyclic host, in water. I've performed a set of calculation…
ghost updated
2 years ago
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Good morning,
I and a colleague were tinkering with your code for funnel metadynamics on BioSimSpace.
Specifically, we have already a free energy surface which needs to be corrected for the funnel s…
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I want to do make a docking calculation with a non-standard molecule for which I am generating the flexible and ridid pdbqt files using my own scripts. After taking a look to the documentation I am te…
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Hello all, I am currently using threeML to analyze the Fermi GBM and Fermi LAT standard data and have encountered a problem. Could you please help me to find out what is wrong with this problem? Thank…