Hi, for those of you potentially interested in lmod calculations, I
compiled a set of new, real life examples using sander as the force
engine. All files necessary to run the calculations including extensive
README files were posted at
https://ambermd.org/Manuals.php --thanks,
Dave. There are three examples, flexible docking, protein loop
optimization, and all-atom normal mode visualization. I attached here
all three README files to include the details. I am happy to answer any
questions, just post on the list or send me direct email to
istvan.kolossvary.hu. There will be significant developments with lmod
in the near future.
Best regards,
Istvan Kolossvary
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Received on Sun Oct 02 2022 - 20:00:02 PDT
