AMBER Archive (2008)

Subject: AMBER: RESP charges fitting for polarizable force fields

From: Grange Hermitage (ghermitage_at_gmail.com)
Date: Sat Aug 30 2008 - 23:48:37 CDT

I note " Howto prepare residues with RESP charges fitting for polarizable
force fields in Amber 8", Lukasz Cwiklik, April 5, 2006.

Does this remain the best guide for this? We are using AmberTools and Amber
10.

There are 26 steps (not including interation of some sections), many
requiring manual editting.
It would be great if this were automated.
Is any part of this procedure further automated in AmberTools than it was in
Amber8?

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