do_x3dna fe91033-foss-2018b

Deprecated: Use of this version of do_x3dna is deprecated. More information on our Applications Support and Retention Policy.

do_x3dna has been developed for analysis of the DNA/RNA dynamics during the molecular dynamics simulations.

Accessing do_x3dna fe91033-foss-2018b

To load the module for do_x3dna fe91033-foss-2018b please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load do_x3dna/fe91033-foss-2018b

BEAR Apps Version

2018b

Architectures

EL8-cascadelake — EL8-haswell — Ubuntu20.04-haswell

The listed architectures consist of two part: OS-CPU.

  • BlueBEAR: The OS used on BlueBEAR is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.
  • BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.

More Information

For more information visit the do_x3dna website.

Dependencies

This version of do_x3dna has a direct dependency on: FFTW/3.3.8-gompi-2018b foss/2018b GROMACS/2018.3-foss-2018b x3dna/2.4-foss-2018b

Last modified on 3rd June 2019