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hello,
recently I found that some of my simulations had some residues in cis conformations
Could it be possible to add a warning in ProteinPrepare or in other convenient place to inform about cis…
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We have to carry around NQ variables in the construction of the final interface states, for Ip/Im (and similarly, NQSRC variables for Ip_src/Im_src). By splitting the thermodynamic and passive variabl…
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Hi Casm Developers,
first of all: thank you for your powerful software!
I've got a problem with setting up my prim.json-file correctly. My primitive structure needs to be of higher symmetry in o…
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We've had multiple requests to include features that are specific to quantum systems. While we would like to keep `TensorNetwork` as basic and laser focused as possible, it would be useful to have a g…
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Hi all,
The Matlab Refprop installed in my windows computer works well for pure working fluids. However, it never returns correct solutions when the working fluids is mixture. In addition, it retur…
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This is discussed in #8729, but I couldn't find an issue that states it explicitly. Please close if I missed it.
In my daily development routine, I need aliases for the following:
- all plugins in…
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Hi,
I ran yank in serial, but it got crashed as soon as it created the file named "complex.nc" with the following error message:
HDF5-DIAG: Error detected in HDF5 (1.10.4) thread 14008027063276…
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Dear all,
within my company we are struggling with an enthalpy value for air. Maybe you can enlighten us.
I´ll explain it with an example:
Pressure = 0,81 MPa
Temperature = 293K
Medium = Air…
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I am trying to call SETUPdll() routine with refprop 9 and refprop 10 dll's. The code works fine with refprop 9 and I get the ierr flag as 117 (successful) for refprop 9 dll but it gives me ierr = 101 …
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I have encountered wrong values from RefProp using Excel
Example:
=Entropy("R134a","Th","SI",368,402.51)
should return 1.60000000
instead it returns 1.19171415
I am working on a gradu…