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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] – edithydrogen_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's H-bond script should be newer or equal to c41b2, versions before this may fail to produce the correct number of hydrogen bonds.
  
-Script in DT2: **/lustre/jbklauda/scripts/xiao/lipids_analyses/hb_chm_1_lip**\\ +Script in ZT1: **/afs/shell.umd.edu/project/energybio/shared/jbklauda/scripts/xiao/lipids_analyses/hb_chm_1_lip**\\ 
-Example in DT2: **/lustre/jbklauda/scripts/xiao/lipids_analyses/hb_chm_1_lip_eg**+Example in ZT1: **/afs/shell.umd.edu/project/energybio/shared/jbklauda/scripts/xiao/lipids_analyses/hb_chm_1_lip_eg**
  
 Download Scripts: {{ :hb_chm_1_lip.tar.gz |}} Download Scripts: {{ :hb_chm_1_lip.tar.gz |}}
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 </code> </code>
 9. It is recommend to run //4-gzip-output.scr// to gzip the output file. 9. It is recommend to run //4-gzip-output.scr// to gzip the output file.
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hydrogen_bonds_for_single-component_bilayers.1589988838.txt.gz · Last modified: 2020/05/20 11:33 by edit