[AMBER] MM-PBSA calculation

From: Mustafa Alhaji Isa <mustafaisa.unimaid.edu.ng>
Date: Fri, 27 Oct 2017 20:52:33 +0530

Dear All,

I want calculate MM-PBSA using amber10, but when I run the below
command using the attached script obtained from the tutorial, it
display the following error "Unable to read script file because of
error: ERROR! -o option must have argument"

Input file for running PB and GB in serial
   endframe=50, keep_files=2,
  igb=2, saltcon=0.100,

MMPBSA.py -O -i mmpbsa.in -o MMPBSA.dat -sp cmk49_solv.prmtop -cp
cmk49.prmtop -rp cmk.prmtop -lp 49.prmtop –y prod.mdcrd

Warm regards
Mustafa Alhaji Isa

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Received on Fri Oct 27 2017 - 08:30:05 PDT
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