[gmx-users] EssDyn

[Anton Feenstra]

"Sanjeev B.S." wrote:
> 
> 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.

Use the '-extr' option of g_anaeig.

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
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