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Creating Input Files - English

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Outline:

Flow chart for MD run for proteins in a solvent box from Gromacs manual Delete water molecules present in the input pdb file About pdb2gmx command and syntax About force field options Adding solvent option Generate .gro file and format About hydrogens added in the .gro file About editconf command and syntax Create a bounding box Shape and size of the bounding box

Width:	844	Height:	608
Duration:	00:11:49	Size:	7.4 MB

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Pre-requisite

PDB File Format and Website

Assignment

Code files

codefile-create-input-files/
codefile-create-input-files/Windows-path-finder.pdf
codefile-create-input-files/1AKI.pdb

Script

Slides

create-input.pdf
create-input.tex
st-logo-new.png

Additional reading material

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