On Mon, Apr 29, 2024, Matias Alejandro Marambio Soto via AMBER wrote:
>I'm trying to solve a system that has a membrane and a protein inserted. I
>built the membrane in CHARMMGUI, and when I try to solvate the system in
>tleap, it places water molecules in the hydrophobic part of the system, I
>don't know how to make it only place them in the Z axis.
Two ideas: (1) build the whole system, including waters in the CHARMMGUI;
(2) Use packmol_memgen in Amber for this task.
First might be easier, since you already are familiar with the CHARMMGUI.
....dac
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Received on Tue Apr 30 2024 - 08:00:03 PDT
