[AMBER] PM6-DH+ Parameters for dispersion correction not found

From: James Kress via AMBER <amber.ambermd.org>
Date: Sun, 1 Jan 2023 23:50:32 -0500

Trying to use PM6-DH+ in AMERB22 on Linux for DNA oligomer in NaCl solution. I get this error message:

SANDER BOMB in subroutine get_c6_req (dh_correction_module)
 Parameters for dispersion correction are not available for this atom.
 Bye bye.

Inconvenient that the atom causing the failure is not revealed.

I searched the manual and the archive but could not find out how to fix this error to make the parameters available.

How can I fix this?


Jim Kress

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Received on Sun Jan 01 2023 - 21:00:03 PST
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