In the .mdp file what is nstenergy set to? On 2012-03-25 04:37:59PM +0430, afsaneh maleki wrote: > Dear users, > > > When I got "total energy.xvg" file for plotting total energy via time, > data haven't saved in order time intervals. What command can control > time intervals in .mdp for .edr file? To better understand I pasted > some text from "total energy.xvg" file. As you see, time intervals > aren't same. > > @ s0 legend "Total Energy" > 0.000000 -274454.750000 > 12.420001 -274884.187500 > 18.060001 -274532.343750 > 20.000000 -274475.437500 > 29.360001 -275739.562500 > 35.000000 -274441.937500 > 40.000000 -274463.156250 > 46.280003 -273342.250000 > 51.920002 -273099.718750 > 57.580002 -274429.250000 > 60.000004 -274844.062500 > 68.860001 -273905.093750 > 74.500000 -273988.812500 > 80.000000 -276057.625000 > > Thanks very much in advance > Afsaneh > -- > 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
-- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | KAUL 752A Genetics, Div. of Research | 705 South 20th Street [email protected] | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- 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
