Dear Experts,
I would like to get some help about using the &smd + MULTI_RMSD flag. It seems to work fine but I just don’t find what exactly the meaning go the path variable, is it the start and and values of RMSD of all the atoms used in to define the MULTI_RMSD?
I use path = 1, 0, since I thought those values are indeed the initial RMSD and the target final one (I would like a “perfect” superimposition) but I am not sure I am using the right values…
Thanks!!
Fabian
Best,
Fabian
Fabian Glaser PhD
Bioinformatics Knowledge Unit - BKU
The Lorry I. Lokey Center for Life Sciences and Engineering
Technion - Israel Institute of Technology, Haifa, Israel
Web
https://lokey.technion.ac.il/bioinformatic-knowledge-unit/
Tel +972 (0) 4 8293701
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jan 03 2021 - 10:00:02 PST
