ALAscan of Proline

From: Martin Lepsik <>
Date: 07 Jul 2003 17:14:09 -0400

Hello AMBER community,
I have run into problems with the MM-PBSA module when ALA-scanning
Proline residues. When creating traj files, the program strips
CG,HGs,CD, and HDs from Prolines correctly but doesn't add the nitrogen
H atom resulting in a bad crd file.

Is there a way to tell the ALAscanning routine there's a proline which
needs to be given a proton? Or a workaround?

Thanks in advance.

Best regards,

Martin Lepsik
Received on Mon Jul 07 2003 - 16:53:01 PDT
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