Hello,
I am using anal from amber7 to calculate interaction energy
between a subtrate and its ligand. The starting crystal structure began
with residue number zero and there were totally 135 residues. Two residues
thereafter are ligand's. When I define groups as 'RES 1 135' and
'RES 136 137', I get into problem. I actually find the number of atoms
being tallied correctly with 'RES 135 136'! If I give 'RES 0 134' it
doesnot define a group! If I give 'RES 1 1' it shows 24 atoms, and that is
neither the number of 0'th residue or 1st residue from generated PDBs!
I would be grateful if anyone suggests me a work around for this
problem. With other set of ligand-substrate docking I had no problems, but
only with ligands with this substrate.
Thanks in advance,
-Sanjeev
Received on Fri May 16 2003 - 22:53:01 PDT
