Thanks a lot. Yes, now I can reproduced this error value according to this instruction. But I think it is better if g_msd can give standard deviation using the standard procedure of LSQ, which is used by the MS Excel function LINEST.
Zhongqiao > This snippet can be found by g_msd -h or on the online documentation: > An error estimate given, which is the difference of the diffusion coefficients obtained from fits over the two halfs of the fit interval. _______________________________________________ gmx-users mailing list [email protected] http://www.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
