[AMBER] MD with preset start/end structures

From: Bernhard Poll <poll.chemie.uni-hamburg.de>
Date: Tue, 12 Apr 2011 13:43:17 +0200

Hi Amber users,

 

I've got some questition about MD's. Is it possible to define some start and
end structure (and may be a transition state) of a protein in Amber and run
a MD simulation? We know these points from crystal analysis and we're just
wondering if it is possible to run the transition so we can understand this
behavior.

 

Thanks in advance

 

Bernhard

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Apr 12 2011 - 05:00:03 PDT
Custom Search