I am using MMPBSA.py to calculate the energy for only complex.While
specifying the input files I am doing some mistake please suggest
Error: mdcrd file (strip_mask) does not exist!
Error: mdcrd file (:WAT) does not exist!
kls_home/amber11/bin/MMPBSA -O -i mmpbsa.in -o
FINAL_RESULTS_MMPBSA.dat -sp solv.prmtop -cp vac.prmtop -y md.x
strip_mask :WAT
md.x is my trajectory file (with WAT)
solv.prmtop is the solvated topology file of my complex
and vac.prmtop is the vacuum topology file of my complex
Your suggestions are highly appreciated
Thanks
Kirtana
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Received on Mon Sep 05 2011 - 13:30:05 PDT
