[AMBER] mmpbsa error

From: MYRIAN TORRES RICO <myriam.torres.iiq.csic.es>
Date: Thu, 04 Apr 2019 10:08:44 +0200

Dear All,

I'm trying to calculate with mmpbsa the decomposition energy, but when
I launch the script, this error appears:

CalcError: /opt/amber12/bin/sander failed with prmtop smp-198ptn-dry.prmtop!

Any idea?

My script is the next:

Input file for running PB and GB
    startframe=1000, endframe=4000, interval=10,verbose=2, keep_files=0,
   igb=5, saltcon=0.150,
         idecomp=3, dec_verbose=1,csv_format=0,

Thank you in advanced for your responses.

Kind regards,


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Received on Thu Apr 04 2019 - 01:30:02 PDT
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