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GRO2LAM is a Gromacs to Lammps simulation converter, is an open source script with an user friendly GUI.
- GUI based, no extra scripting abilities are needed.
- Converts geometry and force field, so the user must provide both as gro and top-ipt bundle.
- Has a basic Lammps scripting helper, in which is possible to choose NVE-NVT-NPT-M(MM) and restrain pre-detected groups or user created.
- For fast trying, also allows to launch Lammps (if it is installed) to try the generated files
- Linux session, preferably with "sudo" rights.
- Screen resolution 1024x768 or higher.
- At least 30 MB of free disk space, 9 MB once installed.
- 1.1 GHz CPU or faster.
- 500 MB of free ram.
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First create or pick a folder (lets say Untitled Folder in your desktop "Desktop/Untitled Folder")
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Inside that folder open a terminal ( in Ubuntu: right click inside the folder-space to open a context menu, then > Open in Terminal )
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In that terminal copy&paste the "quantum start" command:
- For last beta version:
wget https://raw.githubusercontent.com/hernanchavezthielemann/utils/master/grotolam/G2L_iBeta && bash G2L_iBeta
- For last stable version:
wget https://raw.githubusercontent.com/hernanchavezthielemann/utils/master/grotolam/G2L_install && bash G2L_install
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Then hit intro key to start the setup (If it is needed, the setup will ask you to install required packages)
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If you have no errors, at this point a folder called GRO2LAM-20mar19 should exist in a path like:
/home/YourUser/Desktop/Untitled Folder/GRO2LAM-20mar19
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Now, inside that folder it is possible to find the "run" file, that was generated during the setup.
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To run this file, open a terminal in that folder, and execute ./run or python run
try1