[gmx-users] (no subject)
Kingsley Theras Primus Dass .
105726107 at gms.tcu.edu.tw
Sat Nov 19 06:36:18 CET 2016
I have a question about RMSD. I ran MＤ simulaton for 500ns and connected
all my .xtc files using trjcat command.
And , then I used g_rms command with the connected .xtc file to calculate
RMSD for backbone atoms. But , when I run g_rms command , I get a warning
WARNING: If there are molecules in the input trajectory file
that are broken across periodic boundaries, they
cannot be made whole (or treated as whole) without
you providing a run input file.
Can someone say , why this warning msg is coming, and how should i need to
avoid this. what measure should i need to take ?
More information about the gromacs.org_gmx-users