AMBER: Running Amber8 - Sander

From: tri nam Vo <>
Date: Mon, 24 Nov 2008 14:28:31 +0800 (SGT)

Dear Amber users,
I'm using Amber8 for simulate my protein at const pH. I'd like to run 500.000 step with dt=0.002 (total 1ns). Because of not good electric power, I'd like to run sander in separated period with 10.000 steps in each period. The results are different between running in multi period with running in one time with 500.000 steps.
The question is why there is this difference? Can I use the result in multi-period running?
Thanks for your reading. Địa chỉ email mới dành cho bạn! Chọn ngay một tên truy nhập bạn từng muốn lập với tên miền mới ymail và rocketmail. Nhanh nhanh trước khi có người xí mất!
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Received on Fri Dec 05 2008 - 16:31:37 PST
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