[gmx-users] file too big?

[Anton Feenstra]

David wrote:
> On Mon, 2003-04-21 at 20:28, K.A. Feenstra wrote:
> 
[...]
>>Unless you have very specific things you want to look at you *never* need:
>>* more than 1 frame/ps;
>>* solvent;
>>* full-precision coordinates;
>>* velocities;
>>* forces.
> 
> 
> Not everyone is simulating proteins in water... For many things you do
> need to save more often. Even for proteins, if you'd want to study order
> parameters, you need to save like every 100 fs.

 From my perspective (which is admittedly limited, and indeed biased towards
proteins in water), that falls under the 'very specific things' category...

If you need 100fs time resolution, do you also need very long simulations?
(i.e. <1ns, my feeling is you wouldn't...)


-- 
Groetjes,

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