Hello,
I am doing entropy calculations on a protein-ligand complex using nmode in
Amber11. I have MD done on a dimer complexed with ligand. My system has
~9500 atoms and I don't have enough memory to do the calculations. The
system crashes with an error (FATAL: allocation failure in vector() ).
I am planning to strip off one of the monomer. Is there any quicker way of
doing it without having to redo the MD with the monomer.
Thanks
Amit
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 21 2011 - 10:30:02 PDT
