[CP2K:1303] Re: multiple force_eva run with different colvar restraints

[Jun Cheng]

Dear Teo,

Thank you for the rapid reply.
You were right about my attempt. I will try to add the other two classical
force_eva sections to impose the restraints. It will be a long input. :-)

Regards,
Jun

On Wed, Aug 27, 2008 at 3:18 PM, Laino Teodoro <teodor... at gmail.com>wrote:

> Dear Jun,it is not possible since by definition restraints are applied at
> the MD level.. and your MD will be performed globally (i.e. on one system
> combination
> of the two states).
> What you want is to add maybe a classical term (like a bond) to your
> force_eval.. this makes everything more
> complicated but in principle feasible.
> good luck!
> Teo
>
>
> On 27 Aug 2008, at 15:55, Jun wrote:
>
> exactly the same restraints. Does anybody know how to specify the
>
> restraints separately?
>
>
>
> >
>
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