[AMBER] secondary structure calculation using Cpptraj

From: Marlet Martinez <marletm8.gmail.com>
Date: Tue, 20 May 2014 22:00:20 +0200

Dear Amber users,

I have used Cpptraj to calculate the secondary structure of my protein
however the output files: dssp.dat and dssp.dat.sum appear just with "0s"..

When I look at the .log file I got this message:

> Warning: Not all BB atoms found for 268 residues: LYS:1 ...
> Info: This is expected for Proline and terminal/non-standard residues.
> Info: Expected BB atom names: N=[N ] H=[H ] C=[C ] O=[O ]
> Info: Re-run with action debug level >= 1 to see which residues are
missing atoms

Does anyone knows how to fix this problem?


Thanks in advance
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Received on Tue May 20 2014 - 13:30:02 PDT
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