[gmx-users] center of mass pulling in AFM
gmx3 at hotmail.com
Tue Jul 18 14:16:09 CEST 2006
>From: Kay Gottschalk <kay.gottschalk at physik.uni-muenchen.de>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] center of mass pulling in AFM
>Date: Tue, 18 Jul 2006 12:44:20 +0200
>We have a complex with two chains. From one chain (chain A), we are fixing
>the COM. We are pulling on the COM of the other chain (chain B). Now
>assume that due to interactions with chain B, chain A is elongated in the
>direction of pulling. This means that the COM of chain A has moved in the
>directions of chain B. To keep the COM of chain A at the same position,
>the 'rear end' of chain A has to go in the opposite direction than the
>'front end', so that chain A experiences additional forces and is even
>more (and now not due to 'real' interactions, but artificially ) elongated
>due to the COM fixing. Did I understand that correctly?
That's a simple question.
If you keep the COM of a group fixed and part of the group has to
move in one direction, another part of the group will have to
move in another direction.
More information about the gromacs.org_gmx-users