Mark, In "g_energy -h" I see nothing abous viscosity except the option "-vis". The command line is as I wrote earlier: "g_energy -vis -acflen 1001" The system is liquid water. The simulation time is 2 000 ps. The file I look into is enecorr.xvg.
What the error of some sort do you mean? Vitaly >> >> When using g_energy to calculate viscosity ("g_energy -vis"), in >> enecorr.xvg the ACF of stress tensor is output. How can one specify >> the "acflen" of this ACF? >> I try the key "g_energy -vis -acflen XXX" but the length of the ACF is >> still equal to the half of the trajectory length. > > If you read g_energy -h, you will need to specify the ACF length in a > particular way. If you'd given us your actual command line and some > information about your trajectory, you might have gotten a definitive > answer... as it is, we can only assume you made an error of some sort! :-) _______________________________________________ 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/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/mailing_lists/users.php