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New citation:
@Article{D0SC02458A,
author ="Li, Zhiheng and Wellawatte, Geemi P. and Chakraborty, Maghesree and Gandhi, Heta A. and Xu, Chenliang and White, Andrew D.",
title ="Graph neural networ…
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@Mikhail-Vaganov some comments on the proposal someone gave me:
Periodic Boundary Condition (PBC)
Distance
The student says that for the Periodic Boundary condition appropriate particles copies…
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Hi,
I was wondering if it is possible to use FDA for a one-bead-per-amino-acid coarse-grained molecular dynamics model that runs on Gromacs. I have tried to run it but I get empty output files. In th…
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**[Original report](https://bitbucket.org/glotzer/hoomd-blue/issue/87) by Michael Howard (Bitbucket: [mphoward](https://bitbucket.org/mphoward), GitHub: [mphoward](https://github.com/mphoward)).**
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I've installed rocm package on Ubuntu 16.04 in accordance to the Readme on a laptop with AMD PRO A12-8800B R7 processor. When running any code sample compiled from /opt/rocm/hsa/sample or /opt/rocm/…