29 mar 2012 kl. 18.47 skrev Nidhi Katyal: > Dear All > I would like to know the strength of the given bond by calculating the > lifetime of that bond.For the same reason i used: > g_hbond -f *.xtc -s *.tpr -ac *.xvg -temp 300 -num *.xvg -life *.xvg > and i got: > Type Rate(1/ps) Time(ps) ... > Forward -0.182 -5.495 > ....... > HB lifetime=50.60ps > Note that the lifetime obtained in this manner is close to useless.Use the > -ac option instead and check the forward lifetime. > .. > Will it be correct to say that lifetime is -5.495ps (looking at forward > time)? But then what does negative lifetime implies? > Thanks in advance.
Seems weird. Could the amount of underlying data be insufficient? Have you looked at the acf? Erik > -- > 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 ----------------------------------------------- Erik Marklund, PhD Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: +46 18 471 6688 fax: +46 18 511 755 er...@xray.bmc.uu.se http://www2.icm.uu.se/molbio/elflab/index.html
-- 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
