Re: [AMBER] Antechamber - TURBOMOLE

From: <>
Date: Thu, 26 Mar 2015 12:03:54 +0000

First question to answer is if TURBOMOLE supports the Merz-Singh-Kollman scheme for deriving the MEP (look into theri documentation). I don't think that there is any support for TURBOMOLE in antechamber so you would need to extract the MEP from TURBOMOLE output yourself and transform it into a format understood by the resp utility.
From: Sanja Zivanovic []
Sent: 26 March 2015 11:48
Subject: [AMBER] Antechamber - TURBOMOLE


please could you tell me how I can prepare Turbomole input for Antechamber
calculations? Namely, is it possible to run RESP with Turbomole?

Thanks a lot in advance!

Best Regards
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Received on Thu Mar 26 2015 - 05:30:03 PDT
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