Note this is only implemented in the 4.1-beta releases. The rigid specification goes in the Geometry.Constraint block:
%block Geometry.Constraints rigid [1 -- 3] rigid [4 -- 10] %endblock "average" the force on atoms 1-3 and move 1-3 equivalently. "average" the force on atoms 4-10 and move 4-10 equivalently. For further details, please see the manual. Den ons. 23. jan. 2019 kl. 22.04 skrev Mina Sedighi <msedi...@uwaterloo.ca>: > Hello everyone, > > > I have a system containing water molecules in which two kind of salts > (ions) have been solved. I want to consider water and SO42- molecules rigid > during relaxation process. In this regard, how can I use "rigid | molecule" > command? > > Any help will be appreciated. > > > Regards, > > Mina > -- Kind regards Nick
