From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Tue Oct 28 2003 - 18:11:33 CST
People generally use restraints and temperature/pressure controls to heat
and equilibrate their systems. There are examples of full simulations
using these features in the various molecular dynamics tutorials at
http://www.ks.uiuc.edu/Training/SumSchool03/labs.html
-Jim
On Wed, 22 Oct 2003, himanshu chandola wrote:
> Dear all,
> does namd have an initial switch for equilibration? I couldn't
> find that in the manual.
>
> with regards,
> himanshu
> -------------------------------------
> himanshu chandola
> iit delhi
>
> Neo: The problem is choice
>
>
>
>
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