[gmx-users] g_helix (cd222.xvg)
lsettimo at abo.fi
lsettimo at abo.fi
Fri Apr 2 20:06:02 CEST 2004
Hello,
I am Luca, and I just subscribed in the list.
I ran g_helix for analysis of the ellipticity during a simulation but I
don't understand what is the meaning of the "nm" (nanometer) in the Y
axis in cd222.xvg
It should be ellipticity which is deg cm2 dmol-1
I also took the original article of Hirst and Brooks (1994) JMB but this
nanometers are still misterious SINCE THE WAVELENGHT SHOULD BE CONSTANT
(222nm)
This question was raised also from another person without answer
http://www.gromacs.org/pipermail/gmx-users/2003-September/033782.html
In addition in
http://ohm.calvin.edu/documentation/ohm/ohm/benchmark/GROMACS/src/tools/g_helix.c
did not help me so much to understand this amount, I do not have the
code right now and I am lazy to download the whole package
What these nm are?
Thanks
--------------------------------------
Luca Settimo
Department of Biochemistry and Pharmacy
Åbo Akademi University
PB 66
20521 Turku Finland
Phone:
+358-2-215-4082 (work)
+358-50-5238418 (mobile)
Fax:
+358-2-2154745 (fax)
http://www.abo.fi/~lsettimo
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