¶ Visual Molecular Dynamics (VMD)
VMD has been an essential tool for researchers in molecular modeling, structural biology, and computational biophysics. Originally developed in the mid-1990s, VMD was designed to provide a powerful, flexible, and scalable environment for visualizing and analyzing biomolecular structures. Today, with over 100,000 users worldwide, VMD has become a cornerstone of molecular dynamics research, enabling scientists to explore complex molecular interactions, study large-scale biomolecular assemblies, and gain critical insights into biological function.
¶ Available versions
You can check on website , automatically updated.
¶ Access Conditions
The requirements are:
- Account on the e-science.pl platform
- Active "Process on Supercomputer" service
If you do not meet the above requirements click here
¶ License
The software may be used exclusively for non-commercial research purposes. See the detailed license description
¶ How To Use
¶ The graphical interface on Open OnDemand platform
To use the Open OnDemand platform, go to https://ood.e-science.pl, and then log in using a certificate or your cluster login credentials.
Access to the site https://ood.e-science.pl is only possible from the Wrocław University of Science and Technology network or using VPN-KDM.
After logging in, select the icon VMD
¶ Acknowledgments
All publications, including doctoral and diploma theses, using the results of calculations performed on WCSS computers should include acknowledgments to the character (respectively to the language of publication) in accordance with the current regulations
"Created using resources provided by Wroclaw Centre for Networking and Supercomputing (http://wcss.pl)"
"Opracowano przy użyciu zasobów udostępnionych przez Wrocławskie Centrum Sieciowo-Superkomputerowe (http://wcss.pl)”
¶ See also...
¶ VMD
¶ I have a problem with...
- No e-science account If you do not have an e-science account, register.
- No "Process on a Supercomputer" service Submit a request for a new service or modification of an existing one.
¶ KDM Documentations
- Who can become a Supercomputer user?
- How to gain access to the Supercomputer?
- Service Requests Instructions on how to fill out online forms
- users.e-science.pl Manage teams, users, and access rights
- OpenOnDemand Graphical access to applications on the Supercomputer
- Resource usage register How to check available resources in a service
- HPC info Detailed information about resource usage in jobs and services
- set-default-service Change the default service when submitting jobs
- Sub-scripts Specially prepared scripts for launching specific versions of a given program
- Modules Use the module mechanism
The full version of the user documentation is available here.
If you do not find a solution in the above documentation, please contact kdm@wcss.pl.