AMBER Archive (2009)
Subject: [AMBER] Loading PDB of complex
From: Vikas Sharma (vs_vikassharma_at_yahoo.co.in)
i am using Amber10..
and when i try to load the pdb file of the complex (protein along with the ligand) i got the "bondatomproblem" error...to rectify the error i manually changed the pdb...
the when i try to load the pdb of the complex(protein + ligand), it gives the message:
warning : Atoms name in each residue should be unique....
and after this there is no problem when i neutralize and solvate the complex and save the prmtop and inpcrd files...
Is there any problem???
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