Research:AMOEBA HFE: Revision history

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21 April 2025

  • curprev 23:2723:27, 21 April 2025 Eew947 talk contribs 2,860 bytes +2,860 Created page with "= The script does the automation -- hfe_setup.pl= You can find the script here /work/oscar/bin = Files you need = (1) xyz file of the ligand (2) amoeba parameter file (3) xyz file of water box (4) AMBER input file template =Procedures= == Set-ups == (1) After you run hfe_setup.pl, a prompt pops up "Enter the xyz file name of the ligand" Make sure you have that file in your current directory and type in the file name. The script will figure out how many atoms..."
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