QMMM Question

From: Mcguire, Kelly (klmcguire_at_UCSD.EDU)
Date: Mon Oct 17 2022 - 14:38:54 CDT

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I am running a test system using QwikMD to setup a quick QMMM with MOPAC. MOPAC is installed correctly and works fine. I run my QMMM using NAMD 2.14 (non-CUDA) and it seems to run the QM part fine. I get a qmmm_0.input.out and there are no errors. But on the NAMD side, my log file gives the error:

FATAL ERROR: Error running second command for QM calculation

What second command is this referring to?

Dr. Kelly McGuire
Herzik Lab - Postdoc
Chemistry/Biochemistry Department
Natural Science Building, 4104A, 4106A, 4017

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