Re: dissociation of water

From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Mon Oct 09 2006 - 11:33:52 CDT

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Dear Shenoy,
NAMD performs classical MD. The empirical potential does not consider
bond break/formation.

Shenoy, Sukesh escribió:
> If i need to simulate the dissociation of a single water molecule, what is
> the easiest way to do it in NAMD. I tried by increasing the temperature to a
> high value but i see that water still doesnt dissociate. I would appreciate
> your help.
>
> Thanks
> Sukesh
>
>
>
>
>
>

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