[AMBER] Add charges to new molecule with out Gaussian package

From: V. Kumar <vin.vasanth.gmail.com>
Date: Sat, 5 Dec 2015 15:08:41 +0100


I have a new aliphatic organic polymer molecules and I want to build new
force-field for a repeating block. I don't have Gaussian software and I
have tried to used RED RESP way to add charge. Unfortunately RED RESP
requires Gaussian output file. I wondering is there is alternative way to
reasonably add correct charge more or less similar to RED RESP?

thanks in advance
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Received on Sat Dec 05 2015 - 06:30:03 PST
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