LES : size

From: Arturas Ziemys (ziemys_at_chbmeng.ohio-state.edu)
Date: Fri Nov 10 2006 - 12:09:50 CST

Hi,

1) In the manual of NAMD there is now clue about how many atoms can be included into LES. Is there any limitations and considerations about it ?

2) How calculation time depends on number of atoms and number of copies ?

3) Is it effective for crossing enthalpic barriers, or entropy barriers, or both ?

Best
Arturas

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