[AMBER] problem with mm_pbsa

From: <moitrayee.mbu.iisc.ernet.in>
Date: Tue, 23 Aug 2011 03:05:19 +0530 (IST)

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
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