Matter Modeling
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littleworth's user avatar
littleworth
  • Member for 2 years, 1 month
  • 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
10
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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