[gmx-users] phi vs time plot

Swetha Vijayakrishan swetha at www.cdfd.org.in
Fri Jun 27 08:50:01 CEST 2003

hello all,

in order to get the phi/psi plot as a function of MD run time for a
particular residue i tried to use g_chi,but was not successful.
can someone please tell me the exact format of the input.

i had given the following input.

g_chi -c a.pdb -f b.pdb -o o.xvg

this calculates the b factors,phi,psi,omega as a function of residue

but instead if i want to calculate the phi-psi angles of only say the 6th
residue, what should i add in the input line so that my final xvg as the X
axis as time and the Y axes as phi/psi angles.




Swetha Vijayakrishnan

Project Assistant
C/O Dr.Shekhar.C.Mande
Centre for DNA Fingerprinting and Diagnostics(CDFD),
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Hyderabad - 500076

Phone:: Direct: 91-040-7171442
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