[gmx-users] g_covar on multiple simulations

[Anton Feenstra]

Hi,


Does anyone have experience in g_covar (essential dynamics) on multiple,
combined, trajectories? My experience for single (or a few comined)
simulations, is that only a few (<10, sometimes <5) eigenvectors capture
about 60% of MSF, but in the case I'm studying now (Cyt.P450), 12 are
needed for 60%, and 30 for 80%...!

Is this unusual, or have other people seen similar things?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
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|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Room P275  Tel: +31 20 44 47608  Fax: +31 20 44 47610 |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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|             | Costello)                                             |
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