AMBER Archive (2009)

Subject: [AMBER] Non-Standard Amino Acid Residue LEAP ERROR

From: Brothers, Michael Charles (mcbroth_at_sandia.gov)
Date: Thu Jul 30 2009 - 17:28:43 CDT

Dear Amber Users,

I attached my original PDB file (33GMBS.pdb), my modified .oFF file from RED with protecting groups, my modified .oFF file from RED without protecting groups, and the PDB file that resulted (A.pdb).

I have the following errors:

1) If I use my .oFF file with the protecting groups, it reinserts them automatically (GMBSX.off)

2) If I use my .oFF file with the protecting groups removed (manually), it claims that there is a segmentation fault and shuts down the program (GMBS.off)

Any ideas/suggestions?

Thanks,

Mike


  • application/octet-stream attachment: GMBS.off

  • application/octet-stream attachment: GMBSX.off


  • application/octet-stream attachment: A.pdb

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