[gmx-users] (no subject)

Kingsley Theras Primus Dass . 105726107 at gms.tcu.edu.tw
Sat Nov 19 06:36:18 CET 2016

Dear Users!!

 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
as follows:

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 ?

Thank you.

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