GROMACS version: 24
GROMACS modification: Yes/No
Here post your question : when I gave command gmx msd -s md_0_1.tpr -f md_0_1.xtc -n p8.ndx -lateral z from the tutorial and typed 20 (group P8), and did ^D, it did not get any value for lateral diffusion . It is showing as follows :
Specify any number of selections for option ‘sel’
(Selections to compute MSDs for from the reference):
(one per line, for status/groups, ‘help’ for help, Ctrl-D to end)
20
Selection ‘20’ parsed
Reading file md_0_1.tpr, VERSION 2024.2 (single precision)
Reading file md_0_1.tpr, VERSION 2024.2 (single precision)
Last frame 500 time 1000.000
Analyzed 501 frames, last time 1000.000Please help; what should I do ?