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mutating_a_lipid

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mutating_a_lipid [2024/02/20 16:50] – [Mutating a lipid] adminmutating_a_lipid [2024/02/20 16:50] – [Mutating a lipid] admin
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 Then run **step5_input.inp** to create the namd input files. If you look in **step5_assembly.pdb**, your lipid should be renamed and its structure changed. Make sure there aren't any broken bonds. Then run **step5_input.inp** to create the namd input files. If you look in **step5_assembly.pdb**, your lipid should be renamed and its structure changed. Make sure there aren't any broken bonds.
  
-Finally, you will need to go into the namd subdirectory and validate that the restraints subdirectory has files with your new lipids listed. Moreover, you will need to make edits to the ''step5_input.colvar.str'' file to include reading in the new restraint (.ref) files in ./restraints and remove those that are no longer present in your model.+Finally, you will need to go into the namd subdirectory and validate that the restraints subdirectory has files with your new lipids listed. Moreover, you will need to make edits to the ''step5_input.colvar.str'' file to include reading in the new restraint (.ref) files in ''./restraints'' subdirectory and remove those that are no longer present in your model.
  
  
  
mutating_a_lipid.txt · Last modified: 2024/02/20 16:53 by admin