Re: NAMD - wrap atoms, not center of mass

From: Sourav Ray (souravray90_at_gmail.com)
Date: Fri Oct 16 2015 - 10:27:09 CDT

Hello

Have you tried to set 'zeromomentum' to 'yes' if you want to remove CoM
motion?

On Fri, Oct 16, 2015 at 8:50 PM, Stanislav Ċ imko <stanislav.simko_at_gmail.com>
wrote:

> Dear NAMD users,
> I would like to ask you if it is possible (and if yes than how) to wrap
> atoms immediately as they cross box boundaries - do not wait till
> center of mass crosses the boundaries.
> I tried wrapAll as well as wrapNearest and their combination, however,
> they seem to me to work the same way.
> Thank you.
> stano simko.
>
>

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