[gmx-users] EssDyn
Sanjeev B.S.
sanjeev at mbu.iisc.ernet.in
Mon Apr 1 04:58:37 CEST 2002
Hello,
I am new to Gromacs. I need a small clarification regarding
essential dynamics calculations. I see in the manual (g_covar, g_anaeig)
that covarience matrix related analysis can be done with PDBs as input. (I
have only a set of PDBs for input.) But I do not find generation of
essential modes as PDBs. Is there a provision for that, or I missed
something? I presume that '-disp' option is for plotting but not writing
into a file.
Thanks very much for any help,
-Sanjeev
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