HTMD

Description

HTMD is a molecular-specific programmable environment to prepare, handle, simulate, visualize and analyse molecular systems.

Usage

Upcoming modulesystem change alert!

Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.

You can test the new version now by adding a line

source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules

to your script before loading a module. Then, you can list all versions of htmd and load default version of htmd as

module avail htmd/ # list available modules
module load htmd   # load (default) module

If you wish to keep up to the current system, it is still possible. Simply list all modules by

module avail htmd

and choose explicit version you want to use.

Homepage

https://www.acellera.com/products/high-throughput-molecular-dynamics/