Re: TARGETED MD ERROR

From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Thu Mar 13 2008 - 00:54:49 CDT

Hi Samuel,

On Wed, Mar 12, 2008 at 2:33 PM, Samuel Morales Navarro
<samue_82_at_hotmail.com> wrote:
>
> Hi NAMD users!!.
>
>
> In Targeted MD in vacuo , and I appeared the following error:
>
>
> Reason: FATAL ERROR: Langevin dynamics and temperature coupling are mutually
> exclusive dynamics modes
>
> why?

Because Langevin dynamics and temperature coupling are mutually
exclusive dynamics modes. It means that in one simulation, you can use
either of them, but not both. Is that clear? If in doubt, read the
section about temperature control in the user's guide, just in case.

Best,
Jerome

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