VMD-L Mailing List

From: Ropon-Palacios G. (groponp_at_gmail.com)
Date: Fri Aug 06 2021 - 13:52:10 CDT

Dear user,

 

I’m using HMR for a protein with glycosilation (N-glycosilation), make HMR using function implement into psfgen 2.0,

I’ve check rigth patch but when run md simulation (minimization, equlibration good), get error in rattle algorithm to an hydrogen atoms into atom N involved into glycosilation, as can fix it?

 

Please help me!.

 

 

Best,

 

Geo.