Thanks for your suggestions..... Can you please give some explanation for my second doubt...
2011/2/28 André Farias de Moura <[email protected]> > the manual does not enclose all the necessary knowledge for any kind of MD > simulation or analyses, so you have to read some papers and textbooks as > well.as I've already pointed out, g_hbond reads the whole set of frames, > but the > results are meaningful (in the sense of having a homogeneous variance) only > up to half of the size of the sample. if you need the correlation > function for a > longer time lag, increase the length of your simulation. that way, your ACF > should remain meaningful. > > best > > Andre > > On Mon, Feb 28, 2011 at 10:36 AM, bipin singh <[email protected]> > wrote: > > > > Hello, > > > > I am usng g_hbond to calculate H bond auto correlation during the > simulation > > for two residues in my system, I have two doubts regarding this: > > > > 1)How to use -acflen to calculate autocorrelation for all the frames > instead > > of half of the frames > > 2) What is the use of -temp option in calculating the autocorrelation > > because it is giving same result whether you use 298K or 500K > > > > I have read the manual but I am not clear about these functions. > > -- > > --------------------------------- > > Thanks and regards > > Bipin Singh > > > > > > -- > > gmx-users mailing list [email protected] > > http://lists.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists > -- * --------------------------------- Thanks and regards Bipin Singh * * *
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