Matter Modeling
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littleworth's user avatar
littleworth
  • Member for 1 year, 11 months
  • Last seen more than a month ago
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Top posts
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All Questions Answers
Score Newest
question
17
What does ns/day mean in high-performance computing?
Oct 29, 2021
question
13
What does "force field" mean?
Nov 3, 2021
question
11
How to choose appropriate energy term in GROMACS MD simulation (Lennard-Jones or Coulomb)?
Dec 25, 2021
question
10
How to perform "gmx make_ndx" with single command line bypassing the interactive shell?
Dec 28, 2021
question
10
Molecular dynamics frame distorted by VMD?
Dec 21, 2021
question
9
How to calculate the computational time required for a MD simulation
Oct 31, 2021
question
9
How to simulate peptide solubility using molecular dynamics (GROMACS)?
Dec 29, 2021
question
9
How to manage disk space for Gromacs XTC (trajectory) file output
Dec 23, 2021
question
8
How to assign "Trajectory Smoothing Window Size" inside VMD Tcl script
Dec 30, 2021
question
8
Alternative to CGenFF for generating large ligand topology
Dec 21, 2021
Top network posts
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39
How to sort a pandas dataframe by a custom order on a string index
36
How to preserve base data frame rownames upon filtering in dplyr chain
24
How to name the list of the group_split output in dplyr
18
How to replace NA with set of values
15
How to order data by value within ggplot facets

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