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# Solvation models
Electrostatic and solvation models can be roughly divided into two classes (Warshel, 2006; Roux 1999; Ren, 2012) explicit solvent models that treat the solvent in atomic detail and…
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Can we get a list of any and all content with a degree type selected in the metadata?
We're going to change the metadata but I need a list so we know what was tagged before we lose it all.
Let me kn…
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On fedora 25, on my Dell XPS 13 9350, I'm unable to install the UEFI-dummy-dev0 firmware.
I've tried to use fwupdate and fwupdmgr to do this, but both fail without explanation. I also tried to reboot…
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In the gamess input window, there is a Compute button that I assume would submit the current molecule to Gamess. However, when I click on it, nothing happens. I'm using Avogadro 1.0.1 and WinGamess in…
cryos updated
8 years ago
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In the gamess input window, there is a Compute button that I assume would submit the current molecule to Gamess. However, when I click on it, nothing happens. I'm using Avogadro 1.0.1 and WinGamess in…
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I'd like to make a suggestion for your for future
versions of the data base. Many of the biologically
relevant small molecules are relevant because of their
spectral properties. Serving in light harve…
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I'd like to make a suggestion for your for future
versions of the data base. Many of the biologically
relevant small molecules are relevant because of their
spectral properties. Serving in light harve…
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Coordination is needed to avoid asking the same information twice to modelling groups.
eguil updated
8 years ago
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Could you point to eNanoMapper ontology entries to represent experimental protocol , or type of assay ; e.g. similar to
- [EFO protocol](http://bioportal.bioontology.org/ontologies/EFO?p=classes&conc…
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Hi PSI4 developers.
I want to do OMP2 (OMP3/OCEPA) run and dump out optimized orbitals into molden file like "molden_write true" does.
Is it possible at the moment?
Vladimir.