[gmx-users] dihedral .ndx format
russellwgreen at gmail.com
Wed May 30 21:57:38 CEST 2007
I'm looking into performing dihedral PCA, but first I need to make an
appropiate index file. I would like to index the phi and psi angles for a
protein. I've searched in the archives but I didn't find anything clear
enough. I know I must specify four atoms for each, but could someone kindly
show me an example format?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users