Dear AMBER community,
I need to preform several monolayer simulations, starting with a single-component DPPC monolayer and eventually a 4-lipid component monolayer with a surfactant protein embedded.
I have not been able to figure out how to run a simulation in which I can compress/expand the xy area by applying pressure (or tension) and keep z coordinate fixed during the simulation. I know in other programs you can apply pressure/tension and set the compressibility parameter along the z to 0 to keep that fixed but I am not sure how to do this in AMBER.
I would really appreciate if anyone could point me in the right direction with this.
Thank you so much!
Best,
Amanda
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Received on Tue Mar 19 2024 - 16:30:02 PDT
