Hello ,
I have gotten into a problem with the mmpbsa.pl module when ALA-scanning a Proline of a peptide. When creating traj files, I found the wrong atom number of mutation compex and the program strips CG,HGs,CD, and HDs from Prolines correctly but doesn't add the H atom correctly resulting in a bad crd file. how to deal with this problem?
Thanks in advance for your help.
Regards,
Zhongyan Li
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Received on Wed Apr 04 2018 - 05:00:02 PDT
