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From: Siddharth Srinivasan (sshrinivasan_at_gmail.com)
Date: Thu Jun 03 2010 - 16:58:21 CDT

On 6/3/10 12:08 PM, "Rabab Toubar" <rtoubar_at_yahoo.com> wrote:

> Hi,
>
> Can we possibly minimize the structure at a higher temperature like 500K?
> I minimzed, heater the system from 0 to 300K, equilibrated it, then heated it
> 300 - 500K. Can I minimize the same system at this final temperature 500K in
> order to run NPT simulations afterwards? or I would need to min, heat to 500,
> equil then to the production step
>
> Thanks
>
> Rabab Toubar
>
>

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