Hello Amber users,
I am trying to run a MD on a SC-triflate complex. I generated the parameters and coordinates using MCPB.py script. However, while running minimization I am getting an error saying:
Note: 1-4 EEL scale factors are being read from the topology file.
| Note: 1-4 VDW scale factors are being read from the topology file.
Found a non-zero 10-12 coefficient, but source was not compiled with -DHAS_10_12.
If you are using a pre-1994 force field, you will need to re-compile with this flag.
I tried deleting the bonds connecting the metal with other atoms as mentioned in the MCPB tutorial but in vain. Any help will be highly appreciated.
Regards,
Ritwika Chatterjee
Dr. Garima Jindal Lab (CCL)
Department of Organic Chemistry
Indian Institute of Science
Bengaluru - 560012
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Received on Mon Aug 07 2023 - 05:00:02 PDT
