Welcome to the HECBioSim download repository, you will find tools and software that we make available here. If you would your software/tool/script to be distributed here, then please get in touch and we can arrange for you to made a contributor.

 

longbow.png Longbow v1.5.2

(33 votes)

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Longbow is our remote job submission and management tool. Longbow is designed to work out of the box for biomolecular simulation packages (AMBER, CHARMM, GROMACS, LAMMPS, NAMD) on HPC's that operate on LSF, PBS, SGE or SLURM schedulers. Longbow is not limited to these packages alone, an interface is provided to allow users to extend Longbow to work with other schedulers/software packages.

This package is intended for users that chose to not install via the pip installer.

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9,086
81.93 KB
BSD-3 Clause external

 

 

longbow.png Longbow - Examples v1.5.x

(9 votes)

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This download contains the examples for the Longbow job submission tool. This package is intended for users that wish to not use the below command but wish to obtain a copy manually.

 

% longbow --examples 

 

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7,576
17.18 MB
BSD-3 Clause external

 

 

archive.png cpptraj mod for AmberTools 13

(3 votes)

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The cpptraj routines, a brief description can be found here. This code is no longer actively supported.

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2,036
1.01 MB

 

 

archive.png ptraj mod for AmberTools 13

(3 votes)

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Extension for ptraj to include some useful new routines. More information about this download can be found here. There is also a brief description of how to compile it into AmberTools at the aforementioned link. 

This code is no longer actively supported.

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1,972
413.67 KB