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 [sanja.zivanovic.irbbarcelona.org]
Sent: 26 March 2015 11:48
To: amber.ambermd.org
Subject: [AMBER] Antechamber - TURBOMOLE
Dear,
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
