[gmx-users] sequentially fitting each frame of one trajectory to each frame of another trajectory
tsjerkw at gmail.com
Mon Jun 17 22:37:05 CEST 2013
No, there is no such tool. Sorry.
May I ask how you did the MinVar fitting?
On Mon, Jun 17, 2013 at 12:55 PM, Thomas Evangelidis <tevang3 at gmail.com>wrote:
> Dear GROMACS list,
> I used minVar to remove global rotations and translations from a
> trajectory, but due to memory issues I used a replica with only the
> backbone of the protein. Now I want to fit each frame of the original
> protein trajectory to the respective frame of the processed backbone
> trajectory. Is there any GMX tool that can do that?
> Thomas Evangelidis
> PhD student
> University of Athens
> Faculty of Pharmacy
> Department of Pharmaceutical Chemistry
> 157 71 Athens
> email: tevang at pharm.uoa.gr
> tevang3 at gmail.com
> website: https://sites.google.com/site/thomasevangelidishomepage/
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Tsjerk A. Wassenaar, Ph.D.
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