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README: "Some of the old one has not been fully ported"
I assume "old code", I thought this had to do with Lora->Klara, but it seems not.
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I'm still trying to figure out what would be causing energy increases like this on geometry proposals:
```
Proposed mutation:
[('125', 'HIS')]
...
potential before geometry : -6603.352 kT
potenti…
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https://github.com/jsvine/markovify
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I set up a multitarget designer calculation using an edited form of the `Ablaffinitytestsystem` class. It looks like the systems are being set up appropriately, but I keep getting the following error:…
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I think this was debug code that accidentally got left in:
```
Energy after minimizing the new configuration
HarmonicBondForce 1.245 kcal/mol
Harmo…
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I've noticed that the latest version of Ic_conv_Icbl_MCMC.py contains the following line:
`from __future__ import print_function`
I didn't see **print_function** is used in the code. I was wondering …
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We need a routine that is either attached to the model via atromodels or can read a model object and plot the results in a nice form.
I suggest that we do this via the model object in 3ML since it is…
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Once #86, #246, #268 are done.
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I still has an error:
```
[1] import Ic_conv_Icbl_MCMC as Ic_conv_Icbl
[2] Ic_conv_Icbl.conv('10qts_20100815_Lick_3-m_v1-z.flm-flat.sav', 'meanspecIc_0.sav')
----------------------------------------…
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I talked to Bob about comparing the ensemble samplers that are in https://github.com/stan-dev/stan/tree/feature/issue-362-ensemble-samplers to HMC but we're not sure what models to use for comparison.…