VMD-L Mailing List

From: Ropon-Palacios G. (groponp_at_gmail.com)
Date: Wed Sep 15 2021 - 17:39:31 CDT

Dear users,

 

I have a trivial question, when I run a windows in umbrella samplig the restriction that is applied to the center of the windows, does it have to be done in x, y, z? , on the other hand, is it necessary to apply a restraint  for the protein or not?

 

Umbrella sampling is peform inside channel protein along Z axis.

 

 

 

Best,

 

Geo.