[gmx-users] Re: gmx-users digest, Vol 1 #851 - 7 msgs

[Swetha Vijayakrishan]

hi

as per your suggestion i tried using the -X option with g_chi.but there
seems to be an error.

this is what i get :

Fatal error: GROMACS compiled without MOTIF support - can't use X
interface

any other suggestions??

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


On Fri, 27 Jun 2003 gmx-users-request at gromacs.org wrote:

> Message: 6
> Subject: Re: [gmx-users] phi vs time plot
> From: David <spoel at xray.bmc.uu.se>
> To: gmx-users at gromacs.org
> Organization:
> Date: 27 Jun 2003 09:56:37 +0200
> Reply-To: gmx-users at gromacs.org
>
> 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

> --
> 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
> +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++