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Long term goal to sort out when we have a minute. Let's stay in touch about this!
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Dear lammps-interface community,
I am getting the following error while performing MD simulations using the data file generated by lammps-interface:
> ERROR on proc 19: Invalid atom ID in Dihedr…
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```
[ link ]
resname "DT|DG|DC|DA"
[ bonds ]
BB3 >BB1 1 0.35300 10000 {"group": "link"}
[ angles ]
BB2 BB3 >BB1 2 102.00000 150 {"group": "link"}
BB3 >BB1 >BB2 2 106.00000 75 {"grou…
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Hello Selim,
I hope you had nice new year holidays!
I'm writing to report a possible bug, which I suspect it's preventing me from completing a parametrization for an agarose dimer. I have gener…
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I have a workflow where I am creating a system with OpenMM, then writing it to AMBER prmtop and inpcrd files for use with other software packages. When I use the Open Force Field to parameterise small…
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Defect Description :
Blurry and unresponsive images in manual page of the experiment "Dihedral forces in a quad-atomic molecule"
Steps to reproduce the issue :
Go to main page.
Go to 'Computer sci…
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### Defect description:
For Q3, both true and false is considered a wrong answer.
### Steps to reproduce:
Click on [link](http://mi-iiith.vlabs.ac.in/exp3/quiz.php).
Try both true and false for Q3…
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Defect description : None of True and False are correct
Steps to reproduce the issue :1.click on "Dihedral Forces In a Quad atomic molecule" experiment.
2.Click on quizzes.
3.Click on True in Quest…
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Just stumbled upon the problem, that accessing any method that involves topology groups does not work, when creating a `Universe` with a PDB or GRO file. Both the `master` version 0.15.0, as well as …
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It seems that Intermol expects a total of five coefficients for the improper harmonic dihedral. This creates a problem when reading a lammps file if only four are supplied. At least this link indicate…