surface_area_of_lipid
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surface_area_of_lipid [2021/05/25 14:26] – admin | surface_area_of_lipid [2023/02/05 10:39] (current) – admin | ||
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This simple analysis is used to estimate the overall average surface area (SA) per lipid. If you are analyzing a single component membrane then this is equivalent to the component' | This simple analysis is used to estimate the overall average surface area (SA) per lipid. If you are analyzing a single component membrane then this is equivalent to the component' | ||
- | Those at UMD should use the DT2 path: **/lustre/ | + | Those at UMD should use the ZT1 path: **/afs/ |
Outside of UMD a sample script is given in the gzip file: {{ : | Outside of UMD a sample script is given in the gzip file: {{ : | ||
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The example states that you want to do the averages from the last 20 dyn*dcd files. Let's say you have 50 dyn*.dcd files, then the first 30 files are ignored. If each file had 2ns of data, then you are calculating the average from 60-100ns. | The example states that you want to do the averages from the last 20 dyn*dcd files. Let's say you have 50 dyn*.dcd files, then the first 30 files are ignored. If each file had 2ns of data, then you are calculating the average from 60-100ns. | ||
- | 3.2 Calculate the block-average surface areas by command: '' | + | 3.2 Calculate the block-average surface areas by command: '' |
**Note: **For //#define MAX_R 1000000// | **Note: **For //#define MAX_R 1000000// | ||
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3.3 Standard Errors from Block Average | 3.3 Standard Errors from Block Average | ||
- | Calculate averages, sample standard deviation, and standard error of block averages by command: '' | + | Calculate averages, sample standard deviation, and standard error of block averages by command: '' |
The file // | The file // | ||
surface_area_of_lipid.1621967205.txt.gz · Last modified: 2021/05/25 14:26 by admin