Have you tried the -reprod option? Andrish
Fahimeh Baftizadeh wrote > Hello, > > I have a 2 tpr files which are identical. Then I am doing a single step MD > (I put n_step=0) simulation just to compute the total energy of a certain > configuration. > > These tpr files give me different energy values ... when I run it on my > computer or on another computer. Even the gromacs version is the same in > both computers. I compiled gromacs identical in both computers. > > Can you help me to figure it out? > Thanks > Fahimeh > -- > gmx-users mailing list > gmx-users@ > 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-request@ > . > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- View this message in context: http://gromacs.5086.x6.nabble.com/Different-energy-using-the-identical-tpr-file-tp5007436p5007441.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
