Re: About the SMD output file

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Fri Dec 05 2003 - 16:47:31 CST

Hi,

The manual version 2.5 has a complete description under the SMD section,
page 69.

SMD prints out the timestep, current position of the Center of Mass of the
restrained atoms and the current force applied to the center of mass (pN).

Hope this helps,
Ioana

On Fri, 5 Dec 2003, zhilei chen wrote:

> Hi,
>
> I used SMD in my simulation. In the output log file, I obtained
>
> SMD 299810 -7.25178 5.70329 15.1875 -6.64922 235.191 -60.8761
> SMD 299820 -7.31306 5.66557 15.2082 -6.95592 246.04 -63.684
> SMD 299830 -7.3501 5.66762 15.2789 -7.07024 250.083 -64.7306
>
> I don't know what it is in every column and I couldn't find it in the
> NAMD user's guide either. Can anybody tell me what it is?
>
> Thanks in advance.
>
> zhilei
>

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