Dear AMBER users,
I am trying to perform normal mode analysis of my protein-ligand complex. I
have used the command line:
MMPBSA.py -i mmpbsa.in -o FINAL_RESULTS_MMPBSA.dat -sp prot.top -cp
com.top -rp rec.top -lp lig.top -y traj.crd
But, after that got this error:
*Fatal Error!All files have been retained for your error investigation:You
should begin by examining the output files of the first failed
calculation.Consult the "Temporary Files" subsection of the MMPBSA.py
chapter in themanual for file naming conventions*
I am not able to figure out this.
Your suggestions would be highly appreciated
Thanks & Regards
Kankana Bhattacharjee
Ph.D. Scholar
Department of Chemistry
Ashoka University
Sonipat, Haryana
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Received on Tue Dec 12 2023 - 01:30:03 PST
