[AMBER] Can we use turbomole ESP data in amber

From: K A SIVASANKER via AMBER <amber.ambermd.org>
Date: Mon, 9 Oct 2023 16:17:41 +0530 (IST)

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


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 09 2023 - 04:00:02 PDT