[gmx-users] Selecting multiple dihedral angles with common atoms

[Pathum Manjula Weerawarna]

Hi,


Is there anyway to select multiple dihedral angles with common atoms in gmx angle to prepare a trr file for dihedral PCA analysis? I can select multiple dihedral angles when common atoms are absent. Also, merge or plus syntax did not work with gmx angle.


Thanks

best

Pathum


________________________________
Pathum M. Weerawarna, Ph.D.
Postdoctoral Fellow
Silverman Research Group
Department of Chemistry
Northwestern University
2145 Sheridan Road
Evanston, IL 60208-3113

Phone: (316) 990-8542
Email : pathum.weerawarna at northwestern.edu
             pathumweerawarna at gmail.com