Difference between revisions of "How to do standard MD analysis"
From Computational Biophysics and Materials Science Group
(Created page with "This is just how I do mine and I found it quite cost-effective and most importantly easy to trace. I am more happy to discuss on any better protocols. --~~~~ * Cat trajectory...") |
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This is just how I do mine and I found it quite cost-effective and most importantly easy to trace. I am more happy to discuss on any better protocols. --[[User:Kevin|Kevin]] ([[User talk:Kevin|talk]]) 13:42, 3 October 2015 (CST) | This is just how I do mine and I found it quite cost-effective and most importantly easy to trace. I am more happy to discuss on any better protocols. --[[User:Kevin|Kevin]] ([[User talk:Kevin|talk]]) 13:42, 3 October 2015 (CST) | ||
| − | * Cat trajectory to a protein/protein+membrane-only system | + | * [[TCL Combine trajectories|Cat trajectory to a protein/protein+membrane-only system]] |
| − | * Make a pdb out from the initial structure | + | * [[TCL Write a pdb|Make a pdb out from the initial structure]] |
| − | * Calculate RMSD to see convergence of the simulation | + | * [[TCL Calculate RMSD|Calculate RMSD to see convergence of the simulation]] |
Latest revision as of 14:04, 3 October 2015
This is just how I do mine and I found it quite cost-effective and most importantly easy to trace. I am more happy to discuss on any better protocols. --Kevin (talk) 13:42, 3 October 2015 (CST)
