[gmx-users] The meaning of rlist, rvdm and rcolumn

[Anton Feenstra]

Li Dawei wrote:

> Dear Anton:
> 
> Thanks for your reply. But why grompp requir that rlist<=rvdm? It is
> terrible.

Sorry, my mistake. It is the other way around:
Every nstlist steps, all atoms within rvdw and rcoulomb are found and
forces evaluated. All atoms within rlist are put in the (short range)
neighborlist. Each step, vwd and coul forces all atom pairs in the
neighborlist are reevaluated.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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