-dt will define the frequency of analysis that a program will do. In the cases you mention (time step = 4 fs) the program is using the frames according to -dt you give and their availability in the trajectory.
On Jun 30, 2010, at 11:01, leila karami <[email protected]> wrote: > Hi gromacs users > > I want to know what is purpose of -dt flag in most of commands? in my > analysis, different values for -dt > results in outcomes have not determined trend . > > I used this flag for g_rms as follows : > > if g_rms -f pr.xtc -s pr.tpr -n pr.ndx -o 5.xvg -dt 5 so : > > gromacs record output every 20 ps > > if g_rms -f pr.xtc -s pr.tpr -n pr.ndx -o 10.xvg -dt 10 so : > > gromacs record output every 20 ps > > if g_rms -f pr.xtc -s pr.tpr -n pr.ndx -o 15.xvg -dt 15 so : > > gromacs record output every 60 ps > > if g_rms -f pr.xtc -s pr.tpr -n pr.ndx -o 20.xvg -dt 20 so : > > gromacs record output every 20 ps > > if g_rms -f pr.xtc -s pr.tpr -n pr.ndx -o 25.xvg -dt 25 so : > > gromacs record output every 100 ps > > if g_rms -f pr.xtc -s pr.tpr -n pr.ndx -o 30.xvg -dt 30 so : > > gromacs record output every 60 ps > > > in my simulation [ 1 frame = 4 ps ] > > any help will highly appreciated. > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
