Transforming ORCA data to CHARMM format

From: Peter Mawanga (
Date: Thu Jun 11 2020 - 06:32:40 CDT

Greetings everyone,

I have parameterized some ligands with ORCA and have obtained the optimized
geometries and single-point energies.

However, I have not been able to figure out how to transform these
coordinates and energies into topology and parameter files required for the
NAMD simulations.

Therefore, it would be beneficial if someone could direct me to any script
or software that can help me with this issue.


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