Dear Amber users,
I had done MD for 3ns for a protein ligand complex. Using this mdcrd
file I did MM-PBSA/GBSA along with nmode calculation. I have done
these calculations using AMBER10 and AMBERTOOLS1.0.
The PB/GB calculation went fine but there seems to be a problem with
nmode calculation as all the values listed in
FINAL_RESULTS_MMPBSA.dat are 1.0000.
Is this result sensible? If not what has gone wrong and what changes
do I need to make in my input files so that the result becomes more
sensible.
Thanking you in anticipation.
(FINAL_RESULTS_MMPBSA.dat file is attached for your kind reference.)
--
With regards
Vaibhav A. Dixit
Ph.D. Scholar
Department of Medicinal Chemistry
Natl. Inst. Pharm. Edu. & Res. (NIPER)
Sector 67, Phase X, S.A.S. Nagar (Mohali)
Punjab -160 062 INDIA
Phone (Mobile): +919915214408
E-mail: vaibhavadixit.gmail.com
www.niper.nic.in
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Received on Sun May 08 2011 - 22:00:03 PDT
