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-----Original Message-----
From: K A SIVASANKER via AMBER <amber.ambermd.org>
Sent: Monday, October 9, 2023 6:48 AM
To: amber <amber.ambermd.org>
Subject: [AMBER] Can we use turbomole ESP data in amber
Dear friends,
Can we use Turbomole electrostatic potential data for GAFF force field in
AMBER just like Gaussian calculation at HF/6-311G with pop=mk and iop
calculation (basically we applied MEP) ?
Regards,
Sivasanker K A
NCL ID-12183
c/o Dr. Kumar Vanka
Physical & Material Chemistry
CSIR NCL Pune
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Received on Mon Oct 09 2023 - 12:30:03 PDT
