Re: Question Colvar o tclforces

From: Jérôme Hénin (
Date: Sun Dec 13 2020 - 04:14:27 CST

----- On 12 Déc 20, at 20:15, Ropón-Palacios wrote:

> Dear users namd,
> I am doing the pulling of a water molecule, in the direction of -Z axis, however
> for some reason it goes up in + z,

Ok. That reason is probably a mistake in your input.

> how could I put a force on it in such a way
> that it does not go to + Z and stays e the starting position and just go to -Z?

By fixing the mistake in your input.

> , could you do this with tclforces or colvar?

Yes, you could do this with either tclforces or Colvars.

Bottom line: after reading your questions, I don't have enough information to give a useful answer.


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