hi, yes & no.
On the one hand the default of all gromacs tools is to print their help, whenever you call them, so one can see all the options/ input files used. I think this is very useful. On the other hand after 500 times the same iteration the log file is flooded with always the same help message, which is useless. But, as it is possible to change some options in the mdp/xml file after some iterations, one can never know if the gromacs output is still useful. So, I don't see a clear solution here. One could send the output of the gromacs tool to a different log file, but still that file would grow rapidly. Possibly one could add markers like "#BEGIN/END GROMACS OUTPUT" to the logfile and so that one can filter them later with sed if required. (sed '/#BEGIN GROMACS/,/#END GROMACS/d' ) Comment? Suggestions? Cheers, Christoph Am 19. Oktober 2011 05:04 schrieb Sikandar Mashayak <symasha...@gmail.com>: > Hi > > I notice that when gromacs commands are executed using inverse script with > logging enabled, gromacs command output such as its help, available options, > run time etc. everything is written into the log file. Is there any way that > I could avoid it so that log file would look much more clean? > > thanks > sikandar > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to votca@googlegroups.com. > To unsubscribe from this group, send email to > votca+unsubscr...@googlegroups.com. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > -- Christoph Junghans Votca Core Developer Web: http://www.votca.org -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to votca@googlegroups.com. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.