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AMBER Archive (2009)Subject: Re: [AMBER] divcon error during antechamber run, convergence problem
From: David A. Case (case_at_biomaps.rutgers.edu)
On Fri, Mar 06, 2009, Andrew Voronkov wrote:
> I've tried to rewrite this PDB file by use of Chimera, DS visualizaer
Your coordinates are not in the correct columns in the pdb file.
ATOM 1 C1 LIG 1 -11.531 -4.269 17.640
with those in sustiva.pdb (which is correct):
ATOM 1 C1 SUS 1 0.728 1.403 0.255
You will need to have everything in the correct column for your pdb file
...dac
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