Re: [AMBER] Error while running MMGBSA

From: David A Case <>
Date: Tue, 3 Nov 2020 09:01:37 -0500

On Tue, Nov 03, 2020, Suchetana Gupta wrote:

>I am trying to run MMGBSA on my protein-ligand complex. I am getting this
>error each time:
>Program received signal SIGSEGV: Segmentation fault - invalid memory
>Backtrace for this error:
>#4 0x48F541 in __decomp_MOD_allocate_real_decomp
>#5 0x4D2ED5 in sander_
>#6 0x4D03C8 in MAIN__ at multisander.F90:?

Look at the output files for indications of what is going wrong. You
could start by turning off decomposition, and seeing if that helps.
Experiment with changing the input parameters for a single frame to try
to gather more information.


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Received on Tue Nov 03 2020 - 06:30:03 PST
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