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First test: generate a phi field, and compute the corresponding T map and display it. Should be fun! :-)
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Hi!
I cannot run properly the example notebook AuAg_dimer, which gives me the following error:
![aaa](https://cloud.githubusercontent.com/assets/18192004/14273370/7a4d92a4-fb0a-11e5-9040-afd6b7dbce5c.…
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The equation for Taylor-expanded FMM representation of an N-body problem seems to have typos both in Simon's and Christopher's thesis. I want the version I wrote in the paper double-checked.
**In Sim…
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```
pbd files are handy to use as topology base, which happens most likely without
gromacs.
```
Original issue reported on code.google.com by `christop...@gmail.com` on 6 Sep 2013 at 9:01
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We have been thinking about ways we can make the `ffxml` format for `simtk.openmm.app.ForceField` a bit friendlier both for users (who often want to "mix and match", such as combining AMBER forcefield…
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```
pbd files are handy to use as topology base, which happens most likely without
gromacs.
```
Original issue reported on code.google.com by `christop...@gmail.com` on 6 Sep 2013 at 9:01
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since b-factor is commonly used, what do you think about pdb.bfactors.
if you think it's ok, I can PR (just let me know which class is the best to put this info) or add it yourself.
``` python
@prop…
hainm updated
9 years ago
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Hi,
My colleagues and I are slightly confused:
The correct command to get the temperature Cl's is cls =
`cls = cosmo.raw_cl()['tt']`
and other Cl's are available by substituting 'tt' bt 'te', 'ee', …
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Still need to implement part of the analysis in which first the reference trajectory is calculated - one that leads to nominal deflection angle (search appropriate particle energy?) and then multipole…
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For protein simulations, please do not use the parameters from amoebapro04.prm, which had issues due to the way the atomic multipoles were derived (related to the old GDMA not being able to handle bas…