water gro file creation/generator in MATLAB

版本 1.1.0.0 (2.0 KB) 作者: Sumith YD
gromacs *.gro file creator for a rectangular block of water
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更新时间 2015/1/31

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This code generates water.gro which contains water molecules in the gromacs supported format with user specified dimensions. User can also offset the water to a particular location by offset variables.

引用格式

Sumith YD (2024). water gro file creation/generator in MATLAB (https://www.mathworks.com/matlabcentral/fileexchange/47977-water-gro-file-creation-generator-in-matlab), MATLAB Central File Exchange. 检索时间: .

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创建方式 R2013a
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版本 已发布 发行说明
1.1.0.0

This version is updated after removing minor bugs which prevented bulk water of sizes above 25nm.
1.0.0.0