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## New Use Case
Aspect | Detail
------------ | -------------
Summary | C1997 (Platforms providing web-access to molecular level tools for guiding systems level modelling)
Usecase Group | Molec…
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Hi, I found two problems when performing molecular dynamics simulations using MACE-OPENMM.
1. Multiple GPU cards can be applied without error. But there is only one GPU card running the operation.
2…
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Question
Has any thought been put towards initializing a dyn body's translational and rotational state directly using mass points?
For example, one vehicle's lidar location is 5m from its CG. A…
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I was trying to use the Google colab based Notebook "Making it Rain" to perform molecular dynamics simulation of one of my proteins with the small molecule inhibitor. But I am getting issues in te fol…
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Hello
I'm new to molecular dynamics simulation. Maybe this problem will be a little superficial ~~I'm having some confusion about "noslab zneutr" enables fix conp to run a "doubled cell" simulation…
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Bug bounty logistic details (click to expand)
To claim exclusive time to work on this bounty either post a comment here or message [skrastanov@umass.edu](mailto:skrastanov@umass.edu) with:
- y…
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### Overview
Started working on getting the Calm Pedestrian Dynamics Model working as intended.
The Pedestrian Dynamics Model should act as a "default movement" for pedestrians when they are not …
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Velocity Verlet is the most used integration method and used in all/most molecular dynamics packages, physics simulations and games.
http://en.wikipedia.org/wiki/Verlet_integration#Velocity_Verlet
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# Title: Add Planet Simulation Script Using Pygame
# Description:
This proposal suggests adding a Python script to simulate planets using the Pygame library. The script will create a visually eng…
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**Description of the bug**
When combining pair lubricate/poly and pair brownian/poly to simulate the dynamics of a binary hard-sphere (HS) mixture, I find that there are strange attractions betwee…