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membrane_simulation

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membrane_simulation [2023/08/17 16:08] – adminmembrane_simulation [2026/07/01 15:24] (current) – admin
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 These are based off running on Zaratan. If running on another resource see sample inputs from Dr. Klauda or others. These are based off running on Zaratan. If running on another resource see sample inputs from Dr. Klauda or others.
  
-Once you've built the bilayer in CHARMM-GUI per Dr. Klauda's instructions you'll need to download that *tgz file to the scratch filesystem on Zaratan. This should be placed in the shared folder /scratch/zt1/project/energybio/shared/username. You will need to replace the 'username' with your login. You **MUST** download the file and uncompress on Zaratan. Do NOT uncompress and then download...it will cause problems. You should uncompress the file with the tar -xvzf command and let Dr. Klauda (or an associated graduate student) know the path of this directory so I can have a quick check. +Once you've built the bilayer in CHARMM-GUI per Dr. Klauda's instructions you'll need to download that *tgz file to the scratch filesystem on Zaratan. This should be placed in the shared folder /scratch/zt1/project/energybio/user/username. You will need to replace the 'username' with your login. You **MUST** download the file and uncompress on Zaratan. Do NOT uncompress and then download...it will cause problems. You should uncompress the file with the tar -xvzf command and let Dr. Klauda (or an associated graduate student) know the path of this directory so I can have a quick check. 
  
 After approval of the setup, you will need to do is copy all the files in the following directory on Zaratan to your namd subfolder of the system you built: After approval of the setup, you will need to do is copy all the files in the following directory on Zaratan to your namd subfolder of the system you built:
membrane_simulation.1692302914.txt.gz · Last modified: 2023/08/17 16:08 by admin