Dear Amber developers and users,
I am now preparing a PREPIN file for a residues including explicit loop.
However, the PREPIN file generated by RESIDUEGEN module
possess wrong Topology, I mean, main chain atoms were
mistakenly assigned and atoms for loop had alternative bond.
I corrected the PREPIN by manual, but I just got
wrong topology PDB files.
(I checked the coordinate by using the corrected PREPIN)
I am glad to tell me how to assing main chain atom
before runninig RESIDUEGEN or how to
solve this kind of problem.
Yours sincerely,
Ikuo KURISAKI
p.s. I consider that MOL2 file is right;
it has proper connection.
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Received on Sun Feb 10 2013 - 01:30:02 PST
