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tilt_angle

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tilt_angle [2021/06/01 12:54] – admintilt_angle [2025/01/17 09:46] (current) – admin
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 **Brief instruction to obtain tilt angle distribution** \\ **Brief instruction to obtain tilt angle distribution** \\
-Authors: Xiaohong Zhuang and Viviana Monje+Authors: Xiaohong Zhuang and Viviana Monje\\
 Updated: Dr. Jeff Klauda (2021) Updated: Dr. Jeff Klauda (2021)
  
  
-This brief instruction is used to calculate tilt angle distribution of sterols/cholestrols. The scripts that you need are in DT2 path: **/lustre/jbklauda/scripts/tilt+This brief instruction is used to calculate tilt angle distribution of sterols/cholestrols. The scripts that you need are in ZT1 path: **/afs/shell.umd.edu/project/energybio/shared/jbklauda/scripts/tilt
 ** **
 or using zip file: {{ :tilt.gz |}} or using zip file: {{ :tilt.gz |}}
  
-In each sbatch file, the DT2 charmm are provided. +In each sbatch file, the ZT1 charmm are provided. 
  
 Copy the scripts folder “tilt” from path highlighted above to your directory that have all the dyn files. Copy the scripts folder “tilt” from path highlighted above to your directory that have all the dyn files.
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 As shown in the 1_get.scr file, the four variables are \\ As shown in the 1_get.scr file, the four variables are \\
-2: Total number of dcd files, which will be value of N in //gettilt.csh// \\ +2: Total number of dcd files to be read, which will be value of N in //gettilt.csh// \\ 
-20: last tilt file number, which is the number of lipids of interest, \\+20: last tilt file number, which is the number of lipids of interest per leaflet (not the total), \\
 1: first tilt file number \\ 1: first tilt file number \\
 chl1: name to copy final dat file to common directory \\ chl1: name to copy final dat file to common directory \\
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-//Some additional details of the codes here:// +//**Some additional details of the codes here:**// 
- (This section only written for helps understanding the code, so it is fine if you don’t understand since no modification is required)+ 
 + 
 +This section is to aid in the understanding the codes for this tilt calculation. 
  
  
tilt_angle.1622566444.txt.gz · Last modified: 2021/06/01 12:54 by admin