eshamay/mdsystem

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Created almost 16 years ago
Updated almost 16 years ago

eshamay/mdsystem

eshamay

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Directory structure and files for my personal MD simulation setup

interfacemd

Tools for working with data from molecular dynamics simulations. Trajectory analysis, computational spectroscopy, density plots, distribution functions, atoms/molecules/systems - specializing in aqueous (water) systems made using Amber, Gromacs, and CP2K simulation packages.

lisp-md

LISP based Molecular Dynamics tools

Aqueous-Salt-Analysis

Analyzing aqueous salts at water interfaces with CCl4

Arcade

refactoring an new version of the md system code

Corpus

Fortran routines for molecular dynamics analysis & processing

succinic-study

Succinic Acid MD study results

so2-cluster

computational simulation work on sulfur dioxide molecules on water surfaces

Resume

AmberMD

Files for my md projects using Amber

so2temperature

Article about work on temperature effects on so2 surface behavior on water

SaltText

Published article on the effect of adding salts to an aqueous/CCl4 interface

diacid-study

ergos

Ergos project in Haskell

Frumpy

malonic-study

Dolphinium

some test stuff for data structures and algorithms

HaskellMD

Utilities for working with MD systems in Haskell

SulfurDioxideText

Compilation of text regarding the research on so2 done in the Richmond lab

Bromide

Python scripts for plotting and data analysis of MD results