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How to fix 'NoneType' return and Keyerror.
Q&A|Closed | Responses: 0
Is this tool still maintained?
I am unable to even get it to convert a very simple molecule.
When I run it on nanohub, I get an error that...
https://nanohub.org/answers/question/2808
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How to make p3ht polymers
Q&A|Closed | Responses: 5
I want to make a polymer of p3ht but it doesn't work. when I try to make a polymer by uploading a p3ht monomer in z-matrix format, only Monomer-zmatrices,OutputLog,Download is displayed in...
https://nanohub.org/answers/question/2594
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TypeError: 'NoneType' object is not subscriptable
Q&A|Closed | Responses: 3
Hello, thank you for uploading this great tool.
I uploaded a pdb file of graphene generated by Material Studio and chose the Dreiding force field. ...
https://nanohub.org/answers/question/2511
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How do I run the example Si in.elastic test example in the nanohub Lammps tool
Q&A|Closed | Responses: 2
The example for elastic stress that comes with lammps uses...: in.elastic and init.mod and potential.mod and displacement.mod and Si.wc files. How do I run this 'simple'...
https://nanohub.org/answers/question/2475
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Is there a way to add voronoi/atom compute to lammps?
Q&A|Closed | Responses: 2
I am trying to monitor the average stress on each atom as a graphene sheet gets pulled apart. I planned on doing this by dividing the force on each atom by the volume of the atoms. However the...
https://nanohub.org/answers/question/2147
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Tabulting potencial LAMMPS
Q&A|Closed | Responses: 1
Hi,
I have a potential for a molecule which depends on (r, theta, phi), also at different part cell has different variable, is it possible to tabulate such potential in...
https://nanohub.org/answers/question/2105
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a question about ECHENDID package
Q&A|Closed | Responses: 0
Dear sir / madam
I want to use ECHEMDID package, I tried ECM example in computers with different CPU numbers, but there is not any change in speed and it takes very long...
https://nanohub.org/answers/question/1987
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Change simulation box once in LAMMPS
Q&A|Closed | Responses: 1
Dear all,
I have the following problem:
I generate successfully in Polymer Modeler an initial configuration of PE (degree of polymerization 100, 26 chains) in a box of...
https://nanohub.org/answers/question/1844
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What are the Dreiding paramters for graphene ?
Q&A|Open | Responses: 1
Hi,
I am using lammps to simulate PMMA-graphene composite system. I used polymer modeller to create the PMMA chains. I want to add the graphene sheet but I am not sure what bond_coeff,...
https://nanohub.org/answers/question/1596
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when I runn with my own exe.lammps 3 minimize has done but at fix 1 all nvt temp 300.0 300.0 100.0 this error apear: ERROR: All pair coeffs are not set (../pair.cpp:175) I will be very thankfull.
Q&A|Closed | Responses: 1
https://nanohub.org/answers/question/1589
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Error message: Can’t find file log.lammps
Q&A|Closed | Responses: 1
I am trying to run a simple test example that I have run before, but all I get is an error message: "Can't find file log.lammps" ... Can't understand the equivalent command...
https://nanohub.org/answers/question/1506
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Can I request for multiple nodes when running LAMMPS on Nanohub?
Q&A|Closed | Responses: 0
The LAMMPS tool on Nanohub has two features – atomic slip stick simulator and polymer modeler. Is there a way to perform simulations on LAMMPS other than the above on NANOHUB....
https://nanohub.org/answers/question/1156