[AMBER] Non-Standard Amino Acid Residue LEAP ERROR

From: Brothers, Michael Charles <mcbroth.sandia.gov>
Date: Thu, 30 Jul 2009 23:28:43 +0100

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


Received on Wed Aug 19 2009 - 19:52:31 PDT