From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Sep 06 2012 - 08:09:22 CDT
scnb = "scale non bonded"
so common sense would say that a factor of 1 will not change anything to the
incoming ff.
Norman Geist.
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag
von Marc Gordon
Gesendet: Donnerstag, 6. September 2012 14:27
An: namd-l_at_ks.uiuc.edu
Betreff: Re: namd-l: scnb value to prevent VDWs scaling
Hi all
Didn't get a response to this and I really need an answer so I thought I
should bump it.
Please if anyone has an answer for me it would be much appreciated.
Regards
Marc
On Mon, Aug 13, 2012 at 3:40 PM, Marc Gordon <marcgrdn55_at_gmail.com> wrote:
Hi all
I'm trying to find out what scnb figure in NAMD results in no scaling. I
gather from the user guide that the default is 2 and that the VDWs
interactions are divided by the scnb value.
It seems to me that an scnb value of 1 would then be required to achieve no
scaling (or a scaling factor of 1 anyway) of VDWs interactions. Just thought
I would check. Am I correct in this?
Regards
Marc
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