Hi Yeping
El 13/12/11 13:17, yp sun escribió:
Dear Sir,
I finished my simulation with gromacs, but whatever orders I use to
analysize the results, I always get errors. For example, when I type:
g_density -f md.trr
It returns:
Program g_density, VERSION 3.3.1
Source code file: gmxfio.c, line: 706
Can not open file:
topol.tpr
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.
When I type:
g_energy --f md.edr --o potential.xvg
It returns:
Program g_energy, VERSION 3.3.1
Source code file: statutil.c, line: 799
Invalid command line argument:
--f
When I type: g_rms --s md.tpr --f md.trr --o rmsd.xvg
It returns:
Program g_rms, VERSION 3.3.1
Source code file: statutil.c, line: 799
Invalid command line argument:
--s
When I type:
g_gyrate --f md.trr --s md.tpr --o gyrate.xvg
It retures:
Program g_gyrate, VERSION 3.3.1
Source code file: statutil.c, line: 799
Invalid command line argument:
--f
These three cases seem as a problem with the character "-", you using a
differently encoded character (in your first example it is right however)
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?
Thanks!
Yeping Sun
CAS Key Laboratory of Pathogenic Microbiology & Immunology
INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES
NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china
--
Javier CEREZO BASTIDA
PhD Student
Physical Chemistry
Universidad de Murcia
Murcia (Spain)
Tlf.(+34)868887434
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