Date: Mon Mar 05 2012 - 21:39:29 CST
Dear Yi Wang
Thank you for your response.
I use NAMD2.8.
I checked the online manuals of NAMD2.8, but I couldn't find the manuals that say SMD force in log file is [kcal/mol/A].
Although I investigate it , if you know where it is written, please let me know.
Wang Yi <dexterwy_at_gmail.com> wrote:
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
On 2012-3-5, at $B>e8a(B10:11, ishiikai08_at_yahoo.co.jp 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.
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