Re: wrapping option in namd

From: Ivan Gregoretti (
Date: Wed Mar 19 2014 - 21:58:30 CDT

Hi Ju,

I think the the best answer is in the user guide:

There is also an online search tool that allows you to find answers in
NAMD's user guide:

For answers that can't be found in the manual, don't hesitate to ask.



Ivan Gregoretti, PhD

On Wed, Mar 19, 2014 at 10:34 PM, Research Jubilant <> 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

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:20:37 CST