Dear Amber Users,
I am attempting to generate the parameter files for a copper-containing organometallic complex. Using the MCPB.py program, the .frcmod, topology (prmtop) and coordinate (inpcrd) files of both the dry and solvated complex are obtained. However, I would like to know if the .prepc file of the complex can be constructed from the above files, to load the same to tleap while preparing systems of the said complex with other molecules. Any help is much appreciated.
Thank you and regards.
Madhusmita Devi
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Received on Wed Jan 31 2024 - 11:30:02 PST
