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Hi Yeping <br>
<br>
El 13/12/11 13:17, yp sun escribió:
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<div>Dear Sir,</div>
<div> </div>
<div>I finished my simulation with gromacs, but whatever
orders I use to analysize the results, I always get
errors. For example, when I type: </div>
<div>g_density -f md.trr</div>
<div>It returns: </div>
<div><br>
Program g_density, VERSION 3.3.1<br>
Source code file: gmxfio.c, line: 706</div>
<div>Can not open file:<br>
topol.tpr<br>
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You need a *.trp file: named topol.tpr by default, but you can set
your particular one with -s label. What the error say is that the
file "topol.tpr" either does not exists or has not the right
permissions. <br>
<br>
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<div>When I type: <br>
g_energy –f md.edr –o potential.xvg</div>
<div>It returns: </div>
<div>Program g_energy, VERSION 3.3.1<br>
Source code file: statutil.c, line: 799</div>
<div>Invalid command line argument:<br>
–f<br>
</div>
<div>When I type: g_rms –s md.tpr –f md.trr –o rmsd.xvg</div>
<div> </div>
<div>It returns: </div>
<div>Program g_rms, VERSION 3.3.1<br>
Source code file: statutil.c, line: 799</div>
<div>Invalid command line argument:<br>
–s<br>
</div>
<div>When I type: </div>
<div>g_gyrate –f md.trr –s md.tpr –o gyrate.xvg</div>
<div>It retures: </div>
<div>Program g_gyrate, VERSION 3.3.1<br>
Source code file: statutil.c, line: 799</div>
<div>Invalid command line argument:<br>
–f<br>
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These three cases seem as a problem with the character "-", you
using a differently encoded character (in your first example it is
right however)<br>
<br>
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<div>I totally have no ideas about these error. I didn't
get error information when I do the simulation. I should
I do with this situation?</div>
<div> </div>
<div>Thanks!</div>
<div>Yeping Sun<br>
CAS Key Laboratory of Pathogenic Microbiology &
Immunology<br>
INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES <br>
NO.1 Beichen West Road,Chaoyang District,Beijing
100101,china<br>
<br>
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<br>
<pre class="moz-signature" cols="72">--
Javier CEREZO BASTIDA
PhD Student
Physical Chemistry
Universidad de Murcia
Murcia (Spain)
Tlf.(+34)868887434</pre>
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