[gmx-users] phi vs time plot

[Swetha Vijayakrishan]

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
number.

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.

thanks

swetha







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Swetha Vijayakrishnan

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

Phone:: Direct: 91-040-7171442
        Indirect: 91-040-7151344/46/47/56 (lab extn 1400)

Fax  :: 91-040-(7155479-7155610>

Email:: swetha at cdfd.org.in
        swethasenorita at yahoo.com