[gmx-users] phi vs time plot

[David]

On Fri, 2003-06-27 at 21:21, Swetha Vijayakrishan wrote:
> 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

try adding -X option
> 
> 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
> 
> 
> 
> 
> 
> 
> 
> *******************************************************************************
> 
> 
> 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
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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