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hydrogen_bonds_for_single-component_bilayers
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| hydrogen_bonds_for_single-component_bilayers [2020/05/20 11:33] – edit | hydrogen_bonds_for_single-component_bilayers [2022/11/07 08:45] (current) – admin | ||
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| This instruction is to explain the procedure to calculate the number of H-bonding in single lipid bilayer including the PBC. | This instruction is to explain the procedure to calculate the number of H-bonding in single lipid bilayer including the PBC. | ||
| - | ! Special Note: the CHARMM version to run Xiao's script should be newer or equal to c41b2, versions before this may fail to produce the correct number of hydrogen bonds. | + | ! Special Note: the CHARMM version to run Xiao' |
| - | Script in DT2: **/lustre/ | + | Script in ZT1: **/afs/ |
| - | Example in DT2: **/lustre/ | + | Example in ZT1: **/afs/ |
| Download Scripts: {{ : | Download Scripts: {{ : | ||
| Line 117: | Line 117: | ||
| </ | </ | ||
| 9. It is recommend to run // | 9. It is recommend to run // | ||
| - | |||
hydrogen_bonds_for_single-component_bilayers.1589988838.txt.gz · Last modified: 2020/05/20 11:33 by edit