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I have a working prototype in Jmol now. Very simple to test.
Just:
1) download and unzip the [Jmol latest release] (https://sourceforge.net/projects/jmol/files/latest/download?source=files)
2)…
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Problem encountered using latest version of modpack - 1.3.9
The vanilla crafting table is missing the ```forge:workbench``` tag and as such it can't be used for some crafting recipes. One example i…
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https://github.com/bioatlas/data-mobilization-pipeline/blob/master/molecular-data/using-existing-taxa/indata_its/eml.xml needs to be edited and modified for the ITS dataset
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**Themes**
Microbiology
Haematology
Parasitology
Molecular Biology
Biochemistry
Immunology
Cytology and histology
Applications.
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Hi Tinker-HP Team,
I have recently compiled Tinker-HP on an HPC here in the UK and am slowly getting to grips with it. I have an issue during minimisation of a single capped GLN molecule in water …
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Dear authors,
Very excellent work! When I read the implementation code, I have found the code is slightly different from pseudocode. Take bfnsolver++1 as an example. Does the x_t in code is the …
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[Hou, Tingjun, Junmei Wang, Youyong Li, and Wei Wang. “Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Sim…
cramg updated
3 years ago
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1. Review a paper Sihan read
http://adsabs.harvard.edu/abs/2014MNRAS.439..936F
[Fujimoto+14: Do giant molecular clouds care about the galactic structure?]
2. Going through working progress SCUBA2…
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Hi,
I am trying to follow the documentation for CISD: https://pyscf.org/pyscf_api_docs/pyscf.ci.html#module-pyscf.ci.cisd,
My understanding is that you first run a Hartree Fock method to get the…
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The AFR seems to be always 13.3, no matter what build i use