From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Sep 08 2012 - 06:04:23 CDT
On Sat, Sep 8, 2012 at 12:21 PM, Marc Gordon <marcgrdn55_at_gmail.com> wrote:
> HI Norman
>
> Yes that is what I thought but I couldn't find it explicitly confirmed in
actually it is *not* quite that.
> the NAMD documentation and didn't want to just assume I had it right.
but it *is* described in the NAMD documentation. here is the first hit
to show when one uses the "search user's guide" dialog.
http://www.ks.uiuc.edu/Research/namd/2.9/ug/node13.html
cheers,
axel.
>
>
> Regards
> Marc
>
>
> On Thu, Sep 6, 2012 at 3:09 PM, Norman Geist
> <norman.geist_at_uni-greifswald.de> wrote:
>>
>> 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
>>
>>
>
>
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
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