Re: Constant Pull Velocity

From: Wang Yi (
Date: Mon Mar 05 2012 - 09:59:28 CST

If you're using Collective Variables (NAMD2.8), it is kcal/mol/A.

I don't know about the SMD entries in the configuration file. In NAMD2.7, it is pN. You can check the online manuals of NAMD

Yi (Yves) Wang
Duke University

On 2012-3-5, at 上午10:11, wrote:

> Hi, NAMD Users.
> I read the tutorial, the user's guide and archive.
> I have a question.
> I calculated PCV like tutorial.
> However, the SMD force that is written in log file is too larger than the force that is written in papers.
> It is written that the unit of the lines 5 to 7 in log file is [pN], but I cant't believe it and I believe that the unit is [kcal/mol/A].
> Is it really [pN]?
> If this is a poor question, I'm sorry.
> I'm very sorry that I'm beginner of NAMD and English.
> Thanks.
> Ishii Kai

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