Hi, because g_saltbr calculates the data regarding any charge-charge interaction ( neg neg, neg pos, pos pos). Small problem: every atoms (C,H,S,P...) has a charge so the outputs contains the distances among al the n*(n-1)/2 atom couples!!!!
Francesco 2012/9/21 Albert <mailmd2...@gmail.com> > Dear: > > I am using command: > > g_saltbr -f md.trr -s tuned.tpr -dt 16800 > > to calculate the saltbr and I found the output is really large: > > ls -lt *.xvg > > > -rw-r--r-- 1 albert users 640869568 Sep 21 09:53 min-min.xvg > -rw-r--r-- 1 albert users 2392154038 Sep 21 09:53 plus-min.xvg > -rw-r--r-- 1 albert users 2205434558 Sep 21 09:53 plus-plus.xvg > > > could someone tell me how to make the output to be smaller? > > thank you very much > best > Albert > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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 gmx-users-requ...@gromacs.org. > * Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- Cordiali saluti, Dr.Oteri Francesco -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
