AMBER Archive (2009)
Subject: [AMBER] MD simulation with a partially flexible system
From: Jeffrey (jeffry20072008_at_yahoo.cn)
Dear amber users,
I'd like to perform a microsecond-scale MD simulation to see the change of a subdomain with time. So it is necessary to reduce the computational expense by keeping only the subdomain and its surrounding atoms to move while keeping the rest of the system as rigid body during the course of simulation. I checked the amber mannual and didn't find a good choice.
Thanks very much.