AMBER Archive (2009)

Subject: Re: [AMBER] reg.changing velocity

• Previous message: Dean Cuebas: "Re: [AMBER] OE and CG types"
• In reply to: balaji nagarajan: "[AMBER] reg.changing velocity"
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On Sun, Dec 27, 2009, balaji nagarajan wrote:
>
> I tried with the NTWV=50 , and
> got the three different vel.out files when i plot this
> i saw a scattered distribution ,

This is exactly what one would expect. If you start with randomized
velocities, and then wait 50 steps, you would not expect to see any
correlations.

> and could you show me how they are different with respect to ig .

I don't understand the request here.

>
> also could you explain me the out put format of the velocity file .

Same as coordinates (in the trajectory files) but with velocities instead.

...dac

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• Previous message: Dean Cuebas: "Re: [AMBER] OE and CG types"
• In reply to: balaji nagarajan: "[AMBER] reg.changing velocity"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]