Hi,
I want to perform entropy calculation using nmode module of Amber 9. The
number of atoms in the macromolecule (DNA) and ligand are 717 and 90
respectively (Total no. = 807)
I found out from the Mailing List Archive that that there is limit of 8000
atoms but is this applicable for Amber 9 ? If not, will my calculation be
computationally expensive ? How long may it take to run in a single CPU?
Thanks a lot...
Asfa.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 04 2010 - 04:00:03 PDT
