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AMBER Archive (2004)Subject: AMBER: Problems using mm_pbsa.perl
From: Daniel Wetzler (danielwetzler_at_appleinfo.de)
Hallo,
I'm trying to repeat the task of calculating the protein-stability using
At the first step I created Snapshots of my mdcrd-file using an adapted
My problem is now, that the .crd files created by the script do not
FATAL: NATOM mismatch in coord and topology files
If I want to calculate pdb-files out of my .crd-files I also get an error :
daw_at_cu16 mmpbsa > ambpdb -p sgdphe_protein.top_alt <
ATOMS DO NOT MATCH BETWEEN PARM AND MIN FILES 13613 3907
Does nayone know why my .top files don't comply my .crd-files ?
Hope anyone can help.
Best wishes,
Daniel
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