[gmx-users] g_covar on multiple simulations

[Anton Feenstra]

Marco Ceruso wrote:
> Hi-
> The number of eigenvectors to describe the essential motions of the protein
> will depend on its rigidity, the more rigid the more eigenvectors.
> I have had similar cases i.e. 30 egv for 80% just from one traj (314 Ca)

Ah, I hadn't looked at it from that point of view, but it makes sense indeed
that for a more rigid protein, largest eigenvalues will be more similar in size.

Thanks!


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Room P275  Tel: +31 20 44 47608  Fax: +31 20 44 47610 |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "What If None Of Your Dreams Come True ?" (E.         |
|             | Costello)                                             |
|_____________|_______________________________________________________|