[gmx-users] Enforced Rotation

[Harutyun Sahakyan]

Dear GMX users,

I have a question about enforced rotation. I would like to enhance rotation around the peptide bond. Is it possible to rotate only the terminal amino acid (or 2-3 AA) of an unfolded peptide? What kind of rotation should I use in that case? 

Harutyun Sahakyan
Senior Assistant at Laboratory of 
Computational Modeling of Biological Processes, 
Institute of Molecular Biology, NAS, Armenia, Yerevan
Tel: +374 93 323990
h_sahakyan at mb.sci.am (mailto:h_sahakyan at mb.sci.am)
sahakyanhk at gmail.com (mailto:sahakyanhk at gmail.com)