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Top Questions
27
votes
How can I place .dmg files away from the desktop?
macos
dmg
asked Aug 23, 2020 at 20:23
apple.stackexchange.com
18
votes
Flying ice cube effect in molecular dynamics?
molecular-dynamics
statistical-thermodynamics
thermodynamics
asked Jul 24, 2021 at 19:13
mattermodeling.stackexchange.com
18
votes
Ising model: How can I spot the critical point?
magnetism
model-hamiltonians
ising-model
spin-models
phase-transitions
asked Dec 13, 2020 at 4:28
mattermodeling.stackexchange.com
17
votes
Is there a more efficient hard sphere packing algorithm?
python
monte-carlo
asked Dec 8, 2020 at 3:52
mattermodeling.stackexchange.com
14
votes
Finding parameters for a molecule in various forcefields
gromacs
databases
forcefields
asked Feb 14, 2021 at 22:39
mattermodeling.stackexchange.com
13
votes
Using the VACF command in LAMMPS to get the velocity autocorrelation function
molecular-dynamics
lammps
asked Aug 5, 2020 at 15:35
mattermodeling.stackexchange.com
13
votes
Normalization condition in evaluating the radial distribution function for a hard-spheres system
molecular-modeling
python
radial-distribution-function
asked Dec 2, 2020 at 5:53
mattermodeling.stackexchange.com
12
votes
Algorithm for calculating dielectric constant of water TIP3P
molecular-dynamics
statistical-thermodynamics
dielectric-constants
asked Aug 25, 2020 at 0:18
mattermodeling.stackexchange.com
12
votes
How to get more significant digits from OpenBabel?
computational-chemistry
open-source
asked Jan 7, 2021 at 9:14
mattermodeling.stackexchange.com
12
votes
Benchmarking Monte Carlo simulations of polymers
software
high-performance-computing
monte-carlo
polymers
benchmark-timings
asked Nov 16, 2021 at 3:37
mattermodeling.stackexchange.com
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Top Answers
5
Unable to recreate data for benzene from paper in GROMACS 2020.5
mattermodeling.stackexchange.com
5
How to go from Tinker parameter file to GROMACS topology file for improper and proper dihedrals?
mattermodeling.stackexchange.com