[gmx-users] dummy atom - regd
rameshgromacs at gmail.com
Mon Feb 18 04:27:12 CET 2013
Thank you very much for your reply,
As I am performing meta-dynamics simulations in GROMACS with PLUMED patch
grid, I want the distance between the immobile atom and the mobile atom
to be my collective variable. If I take distance between two mobile atoms
as my collective variable both atoms are moving together or moving in
opposite directions. I want to decouple the contribution from the mobile
reference to my free energy profile.
Is it possible to have immobile reference like this(as mentioned in
previous mail) ?
On Mon, Feb 18, 2013 at 12:09 AM, Mark Abraham <mark.j.abraham at gmail.com>wrote:
> On Sun, Feb 17, 2013 at 7:00 PM, ramesh cheerla <rameshgromacs at gmail.com
> > a immobile
> > reference in my system to measure distance between mobile and immobile
> > one along a particular axis ?
> If the point is immobile and non-interacting, why do you need a dummy
> particle there?
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