Re: AMBER: MD problems/shake

From: Bill Ross <>
Date: Mon, 19 Dec 2005 15:54:01 -0800 (PST)

You might want to analyze the trajectory and see what interaction
is causing the problem, then add the restraint to counteract that.
E.g. if an angle restraint is indicated, see how tight the angular
range needs to be, then experiment with increasing the force.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Tue Dec 20 2005 - 00:53:01 PST
Custom Search