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create_bilayer
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| create_bilayer [2019/05/23 11:36] – [Create a Bilayer] admin | create_bilayer [2022/05/31 16:59] (current) – admin | ||
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| * Unless otherwise stated make sure the number of lipids is equal for each leaflet (total and individual) | * Unless otherwise stated make sure the number of lipids is equal for each leaflet (total and individual) | ||
| * The minimum number of waters per lipid should be 30 waters | * The minimum number of waters per lipid should be 30 waters | ||
| - | * Only add neutralizing ions. | + | * Only add neutralizing ions. This is done in Step 3 by setting the KCl concentration to zero and clicking on " |
| * Setup a NPT system with P=1bar and T the desired temperature | * Setup a NPT system with P=1bar and T the desired temperature | ||
| + | * Select NAMD, OpenMM, and GROMACs input file generation for potential use with these programs | ||
| * Download the entire TGZ file and place this on the cluster (do not delete files as needed later) | * Download the entire TGZ file and place this on the cluster (do not delete files as needed later) | ||
create_bilayer.1558625768.txt.gz · Last modified: 2019/05/23 11:36 by admin