[gmx-users] How to do Normal Modes Analysis with Gromacs4.5.5?

qiancheng shen qianchengshen at gmail.com
Sat Mar 17 14:44:52 CET 2012


Hello Everyone,
         I‘m confused about Normal Mode Analysis of Gromacs. I have googled
a lot but find little useful.
         I installed Gromacs 4.5.5 by CMake on Win7(Double Precision).
         Gromacs manual said "It is imperative that you use the -t option
to grompp <http://www.gromacs.org/Documentation/Gromacs_Utilities/grompp>when
you create the
normal mode run input
file<http://www.gromacs.org/Documentation/File_Formats/Topology_%28.tpr%29_File>,
so that you read full precision binary coordinates and not the
three-decimal .gro<http://www.gromacs.org/Documentation/File_Formats/.gro_File>file."
But I don't exactly what it means....
         Could anyone give me a step-by-step example?

         Thanks in advance.

shen
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