[gmx-users] output unimaged trajectory?
Nuno R. L. Ferreira
nunolf at ci.uc.pt
Wed Jul 14 11:28:41 CEST 2004
----- Original Message -----
From: <david.evans at ulsop.ac.uk>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Wednesday, July 14, 2004 10:00 AM
Subject: Re: [gmx-users] output unimaged trajectory?
I mean with the coordinates of all atoms propagated continuously in
3D space, not wrapped around to the other side of the periodic box
when they cross a boundary.
Just to add something here, NAMD (another md software) by default doesn't
wrap also the trajectory, like AMBER. So, you are not alone in this world
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