Hello, please see this thread in mailing list:
http://archive.ambermd.org/201104/0275.html
On Tue, Jun 7, 2011 at 12:16 AM, Joseph Seemiller
<me.josephseemiller.com> wrote:
> Hello,
>
> I am unsure of the units in the file output from an SMD simulation. The
> first two lines of a dist_vs_t file are as follows:
> 36.51000 36.50836 16.43172 0.00000
> 36.50993 36.51118 -12.49855 -0.00013
>
> I believe columns 1&2 measure distance and should be in Angstroms.
> Column 4 measures work, and I believe is in kcal/mol
>
> Column 3 measures force. Does anybody know what unit the force is in? Is it
> kcal/mol/A?
>
> Thank you!
>
> ----------
> Joseph R. Seemiller
> E-mail: me.josephseemiller.com
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--
Dmitry Nilov
Faculty of Bioengineering and Bioinformatics,
Lomonosov Moscow State University
web: http://enzyme.fbb.msu.ru/
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Received on Mon Jun 06 2011 - 21:00:03 PDT
