littleworth

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molecular-dynamics

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What does ns/day mean in high-performance computing?

Oct 29, 2021

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What does "force field" mean?

Nov 3, 2021

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How to choose appropriate energy term in GROMACS MD simulation (Lennard-Jones or Coulomb)?

Dec 25, 2021

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How to perform "gmx make_ndx" with single command line bypassing the interactive shell?

Dec 28, 2021

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Molecular dynamics frame distorted by VMD?

Dec 21, 2021

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How to orient the protein for lipid bilayer simulation in Gromacs

Sep 27, 2022

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molecular-dynamics

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gromacs

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membranes

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proteins

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How to calculate the computational time required for a MD simulation

+10

How to orient the protein for lipid bilayer simulation in Gromacs

+10

How to manage disk space for Gromacs XTC (trajectory) file output

+10

What does "force field" mean?

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