Dear Amber user:
I wonder if anyone knows how to extract the residues of first solvation shell
from the simulated system after the production?
My system contains a host, guests, solvent, I want to get the information
(prmtop or pdb) of the residue groups in the first solvation shell for the
mm_pbsa study. I wonder if there is a quite way to do that cause i have so
many snapshots. The only thing i can find in the manual is "watershell", but
it only give the number of residue included in the shell.
Thanks!
Shuting
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Received on Mon Nov 21 2005 - 23:53:00 PST
