silicondioxide

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ibrahim-mohd / Generate-silica-itp-file-Gromacs

The scripts in this repository creates Gromacs itp files for all-atom simulation of Silica in combination with AMBER force field. For Charmm slight change is required. Refer to the reference in description

simulation silica gromacs itp forcefield silicondioxide cristobalite

Updated Mar 15, 2025
Python

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