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--- hydrogen_bonds_for_single-component_bilayers [2019/03/29 09:00] – admin
+++ hydrogen_bonds_for_single-component_bilayers [2022/11/07 08:45] (current) – admin
@@ Line 4: / Line 4: @@
 Authors: Xiaohong Zhuang and Dr. Jeffery B. Klauda
 This instruction is to explain the procedure to calculate the number of H-bonding in single lipid bilayer including the PBC.
-Script in DT2: **/lustre/jbklauda/scripts/xiao/lipids_analyses/hb_chm_1_lip**\\
+! 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.
-Example in DT2: **/lustre/jbklauda/scripts/xiao/lipids_analyses/hb_chm_1_lip_eg**
+Script in ZT1: **/afs/shell.umd.edu/project/energybio/shared/jbklauda/scripts/xiao/lipids_analyses/hb_chm_1_lip**\\
+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 |}}
@@ Line 115: / Line 117: @@
 </code>
 .	It is recommend to run //4-gzip-output.scr// to gzip the output file.