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Brief instruction to obtain H-bond by CHARMM script for a Single Lipid Bilayer
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 DT1: /lustre/xzhuang/simulation/script_folders/lipids_analyses/hb_chm_1_lip
Example in DT1: /lustre/xzhuang/simulation/script_folders/lipids_analyses/hb_chm_1_lip_eg
Script in DT2: /lustre/xzhuang/scripts/lipids_analyses/hb_chm_1_lip
Example in DT2: /lustre/xzhuang/scripts/lipids_analyses/hb_chm_1_lip_eg
Download Scripts:
Steps
1. Copy the script folder provided to your path.
1.1 Go to your path that you would like to work on H-bond analysis
1.2 For example, use the following command to copy the script folder to your path
<code> cp -r /lustre/xzhuang/simulation/script_folders/lipids_analyses/hb_chm_1_lip ./