dear amber users,
when I ran mm_pbsa, I got stucked in the nmode calculation. I have some
questions about it.
1. can I just calculated residues 8 A (or less)around the ligand? and is
that enough to give out the correct answer?
2. I need to do nmdoe calculations for complex, protein and ligand for
each snapshot or only one set?
I use amber6, and the memory is about 1G. I hope someone can give me some
hints or examples to run entropy calculation using nmode.
Thanks in advance.
Xiaojian
Received on Mon Jun 10 2002 - 16:42:59 PDT
