[AMBER] Transform TIP3P to OPC

From: Abdelrahman, Noureen via AMBER <amber.ambermd.org>
Date: Sun, 9 Jun 2024 01:19:02 +0000

Hello all,

Is there a way I can transform opc water atoms to tip3p? I am trying to use Terachem on a system, and I want to include water molecules in my QM region, but Terachem doesn't work with OPC. So I am wondering if there's a way to transform those specific water molecules that I want to include into TIP3P for Terachem to run?

Thanks,
Noureen
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Received on Sat Jun 08 2024 - 18:30:02 PDT