[AMBER] Rotational/torsion energy

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Thu, 26 Sep 2019 06:30:31 +0000

I was curious if anyone has experience with calculating rotational/torsion energy over a single bond using amber? I am looking for a smooth way to get an indication of potential energy barriers and an estimate of the size.

If anyone knows of any tutorials or online resources describing the process I’d greatly appreciate some tips.

Best regards
// Gustaf

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Received on Thu Sep 26 2019 - 00:00:02 PDT
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