New answers tagged molecular-dynamics
6
votes
Accepted
Switching Amber Versions Mid-Project
Here are your three options:
Switch immediately and completely to Amber24.
This is not as irresponsible as it might sound. With good data management, your simulation logs will tell you when you ...
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4
votes
Switching Amber Versions Mid-Project
With the old input data and unprocessed raw results by AMBER22 in hand, identify what are the properties in the output which are mission critical for your work. A discussion with a colleague more ...
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