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Great lessons! :heart:
Improvement
Perhaps modify this paragraph in [https://carpentries-incubator.github.io/python-intermediate-development/33-programming-paradigms/index.html#object-oriente…
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Hello Guy, ive been doing lot of expetimentation lately on parsers, grammar and graph theory, and started to dig the relationship between graph theory and computation theory.
Deep down, all those a…
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Dear Xiaoh,
I tried to install this code as you explained in readme with Allwmake.sh but I faced two issue to install the package.
Error:
lammpsFoam.C:41:17: fatal error: mpi.h: No such file or dire…
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Same as we had already (https://github.com/Open-Systems-Pharmacology/OSPSuite-R/issues/1016), but apparently it was fixed for molecules onle. This time, if some parameters that are state variable are …
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Hello Gustavo.
I just ran the n-hexane parameter estimation example provided in the documentation (page 43). It ran fine, I got the same set of values. However there was a RunTimeWarning alert for …
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I only observed thie following on Alpha 7.5.110 on win: when the local ODE or stochastic non-spatial sims finish and the results appear, I sometimes get the following:
RuntimeException-Failed to de…
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How can we know if a pdb is going to be a good candidate for simulation? Are the initial conditions that stop us from being able to simulate? Estimate the total number of eligible candidates.
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There are different parameters that you can set to ensure that simulations are deterministic. This is mainly done by applying `mdrun -seed`. However, there is also some hyperparameters that can be set…
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**Describe the bug**
Hi, the following error is raised with somd-freenrg.py with Sire 2024.1.0. Do you know what I am doing wrong?
```
"/data/tmp/nigel.palmer/ceb3/conan/p/sireb703ab24f536d/p/b…
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### Introduction
Hi everyone :) My name is Leanid and I'm a PhD candidate in Dimphna Meijer's group at the Bionanoscience department.
### Describe your research in 2-3 sentences to someo…