[AMBER] Regarding Simulations of Ionic Liquids on GPU

From: MOHD HOMAIDUR RAHMAN <rahmanhpu.gmail.com>
Date: Tue, 15 Sep 2015 11:15:41 +0530

Dear Amber Users

I have a system that contains Ionic Liquids ( organic cation and inorganic
anion ) and we are simulating this systems by using Sander module with full
ewald (by EW_TYPE=1 keyword). The GPU version of simulation module PMEMD is
not supporting the full ewald method.

So my question is that the scientific community accepting this type of
systems simulated on pmemd (GPU). And what is the best way to simulate this
type of systems.

Thanks & regards
Rahman
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Received on Mon Sep 14 2015 - 23:00:03 PDT
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