giorginolab/CHARMM_GUI_GROMACS_5_fixup giorginolab/CHARMM_GUI_GROMACS_5_fixup

  • Stars
    star
    1
  • Language
    Shell
  • License
    GNU General Publi...
  • Created about 9 years ago
  • Updated about 9 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
giorginolab/CHARMM_GUI_GROMACS_5_fixup
github

giorginolab

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

Fixup for CHARMM-GUI and GROMACS5

More Repositories

1

zotfile_doctor

Zotfile directory consistency checker
Python
75
star
2

vmd_density_profile

Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
Tcl
31
star
3

vmd_diffusion_coefficient

Computing Diffusion Coefficients in Macromolecular Simulations: The Diffusion Coefficient Tool for VMD
Tcl
30
star
4

vmd_plumed

Main code repository for the PLUMED-GUI plugin for VMD
Tcl
15
star
5

miniomm

A simple OpenMM wrapper for common-case MD runs
Python
5
star
6

vmd_misc

Development branch - not for general use
Perl
4
star
7

openmm-plumed-tests

Alanine dipeptide OpenMM-Plumed test
Rich Text Format
3
star
8

ACEMD-PLUMED

Running biased simulations with PLUMED and ACEMD
Gnuplot
2
star
9

analysis_libraries_chapter

Analysis libraries for molecular trajectories: a cross-language synopsis
Python
1
star
10

2017-PLUMED-workshop

Raw material for the presentation at the PLUMED 2017 workshop in Trieste
Python
1
star
11

2019-Markov-Tutorial-UniMi

Material for the Markov + MD Lecture @ Unimi
HTML
1
star
12

2021-Markov-Tutorial-BCN

Material for the Markov + MD Lecture @ Master MSI Barcelona
Jupyter Notebook
1
star
13

2022-MD-Trajectory-Tutorial-UniPD

For Prof. Fuxreiter's course
Jupyter Notebook
1
star
14

2023-Markov-Tutorial-UniPD

Markov tutorial for prof. Fuxreiter's course.
Jupyter Notebook
1
star
15

2020-Markov-Tutorial-BCN

Material for the Markov + MD Lecture @ Master MSI Barcelona
Jupyter Notebook
1
star
16

2019-Markov-Tutorial-BCN

Material for the Markov + MD Lecture @ Master MSI Barcelona
HTML
1
star
17

2019-PlumedAutoDiff-Lugano

Code accompanying my talk at *Open source software for enhanced-sampling simulations*
Jupyter Notebook
1
star
18

2023-OpenMM-MD-UniPD

For prof. Fuxreiter's Course
1
star