Hi, Probably you don't have write permissions in that folder.
Cheers, Tsjerk On Wed, Jul 8, 2009 at 1:07 AM, s lal badshah<[email protected]> wrote: > Hi Gromacs user, > > I changed the version and this time it gave the following error > s...@linux-g1cj:~/Desktop/283> g_energy -f md283.edr -o md283-TE.xvg > :-) G R O M A C S (-: > > Gnomes, ROck Monsters And Chili Sauce > > :-) VERSION 3.3.1 (-: > > > Written by David van der Spoel, Erik Lindahl, Berk Hess, and others. > Copyright (c) 1991-2000, University of Groningen, The Netherlands. > Copyright (c) 2001-2006, The GROMACS development team, > check out http://www.gromacs.org for more information. > > This program is free software; you can redistribute it and/or > modify it under the terms of the GNU General Public License > as published by the Free Software Foundation; either version 2 > of the License, or (at your option) any later version. > > :-) g_energy (-: > > Option Filename Type Description > ------------------------------------------------------------ > -f md283.edr Input Generic energy: edr ene > -f2 ener.edr Input, Opt. Generic energy: edr ene > -s topol.tpr Input, Opt. Generic run input: tpr tpb tpa xml > -o md283-TE.xvg Output xvgr/xmgr file > -viol violaver.xvg Output, Opt. xvgr/xmgr file > -pairs pairs.xvg Output, Opt. xvgr/xmgr file > -ora orienta.xvg Output, Opt. xvgr/xmgr file > -ort orientt.xvg Output, Opt. xvgr/xmgr file > -oda orideva.xvg Output, Opt. xvgr/xmgr file > -odr oridevr.xvg Output, Opt. xvgr/xmgr file > -odt oridevt.xvg Output, Opt. xvgr/xmgr file > -oten oriten.xvg Output, Opt. xvgr/xmgr file > -corr enecorr.xvg Output, Opt. xvgr/xmgr file > -vis visco.xvg Output, Opt. xvgr/xmgr file > -ravg runavgdf.xvg Output, Opt. xvgr/xmgr file > > Option Type Value Description > ------------------------------------------------------ > -[no]h bool no Print help info and quit > -nice int 19 Set the nicelevel > -b time 0 First frame (ps) to read from trajectory > -e time 0 Last frame (ps) to read from trajectory > -[no]w bool no View output xvg, xpm, eps and pdb files > -[no]xvgr bool yes Add specific codes (legends etc.) in the output > xvg files for the xmgrace program > -[no]fee bool no Do a free energy estimate > -fetemp real 300 Reference temperature for free energy > calculation > -zero real 0 Subtract a zero-point energy > -[no]sum bool no Sum the energy terms selected rather than > display > them all > -[no]dp bool no Print energies in high precision > -[no]mutot bool no Compute the total dipole moment from the > components > -skip int 0 Skip number of frames between data points > -[no]aver bool no Print also the X1,t and sigma1,t, only if only 1 > energy is requested > -nmol int 1 Number of molecules in your sample: the energies > are divided by this number > -ndf int 3 Number of degrees of freedom per molecule. > Necessary for calculating the heat capacity > -[no]fluc bool no Calculate autocorrelation of energy fluctuations > rather than energy itself > -[no]orinst bool no Analyse instantaneous orientation data > -[no]ovec bool no Also plot the eigenvectors with -oten > -acflen int -1 Length of the ACF, default is half the number of > frames > -[no]normalize bool yes Normalize ACF > -P enum 0 Order of Legendre polynomial for ACF (0 > indicates > none): 0, 1, 2 or 3 > -fitfn enum none Fit function: none, exp, aexp, exp_exp, vac, > exp5, exp7 or exp9 > -ncskip int 0 Skip N points in the output file of correlation > functions > -beginfit real 0 Time where to begin the exponential fit of the > correlation function > -endfit real -1 Time where to end the exponential fit of the > correlation function, -1 is till the end > > Opened md283.edr as single precision energy file > > Select the terms you want from the following list > ----------------------------------------------------- > Angle Proper-Dih. Ryckaert-Bell. LJ-14 > Coulomb-14 LJ-(SR) LJ-(LR) Coulomb-(SR) > Coul.-recip. Position-Rest. Potential Kinetic-En. > Total-Energy Temperature Pressure-(bar) Box-X > Box-Y Box-Z Volume Density-(SI) > pV Vir-XX Vir-XY Vir-XZ > Vir-YX Vir-YY Vir-YZ Vir-ZX > Vir-ZY Vir-ZZ Pres-XX-(bar) Pres-XY-(bar) > Pres-XZ-(bar) Pres-YX-(bar) Pres-YY-(bar) Pres-YZ-(bar) > Pres-ZX-(bar) Pres-ZY-(bar) Pres-ZZ-(bar) #Surf*SurfTen > Pcoupl-Mu-XX Pcoupl-Mu-YY Pcoupl-Mu-ZZ Mu-X > Mu-Y Mu-Z T-Protein T-Non-Protein > Lamb-Protein Lamb-Non-Protein > > Total-Energy > > ------------------------------------------------------- > Program g_energy, VERSION 3.3.1 > Source code file: futil.c, line: 308 > > File input/output error: > md283-TE.xvg > ------------------------------------------------------- > > "No One Could Foresee the End That Came So Fast" (Slayer) > > s...@linux-g1cj:~/Desktop/283> > > Regards, > LAL BADSHAH > > ________________________________ > New Email names for you! > Get the Email name you've always wanted on the new @ymail and @rocketmail. > Hurry before someone else does! > _______________________________________________ > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
