Re: 回复： [CP2K:3591] Centering at every MD step?
laksh... at gmail.com
Tue Nov 8 17:53:00 CET 2011
Thanks a lot - that was very helpful!
On Nov 7, 6:35 pm, shoutian sun <sunshou... at yahoo.com.cn> wrote:
> Hi LS,
> This keyword simply center the coordinates at
> the start of the simulation.
> If you want to keep the system in the center
> (no rotation or/and translation), please pay attention
> to the following key words:
> 发件人： LS <laksh... at gmail.com>
> 收件人： cp2k <cp... at googlegroups.com>
> 发送日期： 2011年11月8日, 星期二, 上午 12:23
> 主题: [CP2K:3591] Centering at every MD step?
> I have a "center coordinates" keyword in my input, where I perform a
> BOMD calculation. Does this keyword simply center the coordinates at
> the start of the simulation or does it center the system at every MD
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