Dear Amber Users,
I am trying to use the mm_pbsa decomposition module for residue pairwise energy
calculation. However, when I extract the snapshots for mm_pbsa using standard
extraction script, the resulting crd files (input to decomposition) seem to have
some residues broken up when converted to pdb. When I convert the same
trajectory snapshots into pdb using ptraj, nothing goes wrong with the
structure.
Please help me with this problem.
Thanks a lot in advance.
Sincere Regards,
Moitrayee
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Received on Mon Aug 22 2011 - 15:00:04 PDT
