From: Ivan Gregoretti (ivangreg_at_gmail.com)
Date: Wed Mar 19 2014 - 21:58:30 CDT
Hi Ju,
I think the the best answer is in the user guide:
http://www.ks.uiuc.edu/Research/namd/2.9/ug/node33.html
There is also an online search tool that allows you to find answers in
NAMD's user guide:
https://www-s.ks.uiuc.edu/Research/namd/
For answers that can't be found in the manual, don't hesitate to ask.
Cheers,
Ivan
Ivan Gregoretti, PhD
Bioinformatics
On Wed, Mar 19, 2014 at 10:34 PM, Research Jubilant <
research.jubilant_at_gmail.com> wrote:
> Hello all,
>
> I have a question about using "wrapAll" option during a simulation. I have
> this option on in my simulation. What does it really mean? Should I unwrap
> before I use the generated trajectory in any analyses? I don't see anything
> strange even if I don't unwrap it.
> What if I don't use this option?
>
> Kindly help me understand the significance of this option. When do I
> suppose to use this?
>
> Ju
>
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