AMBER Archive (2004)

Subject: AMBER: a problem about alanine scan of proline

From: luocheng (cluo_at_mail.shcnc.ac.cn)
Date: Tue Mar 09 2004 - 03:00:27 CST


Hello AMBER community,
I have run into problems with the MM-PBSA module when ALA-scanning a
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.
could someone tell me how to deal with this problem?

Thanks.

Best regards,

        

        luocheng
        cluo_at_mail.shcnc.ac.cn
          2004-03-09

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