[AMBER-Developers] Constrain ligand in extracellular side in membrane-protein systems

From: 王进安 <jawang1985.gmail.com>
Date: Fri, 9 Jul 2021 14:03:42 -0500

Hi,

I'm writing this email to check whether AMBER has some functions to
constrain the ligand in the extracellular side of the membrane. Because in
the current PBC condition, the ligand could artificially move into the
intracellular side.

Best regards,
Jinan
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Received on Fri Jul 09 2021 - 12:30:01 PDT