Dear all,
I am trying to run MMPBSA.py for my trajectory (explicit solvent) with this
input parameters here:
Input file for running GB
&general
keep_files=2,
verbose=2,
interval=10,
strip_mask=":Cl-:Na+:WAT",
/
&gb
igb=5,
gbsa=2,
saltcon=0.2,
/
However, i get the following error message.
*"Reading command-line arguments and input files...
Error: Unrecognized variable (gbsa) in namelist (gb)!"*
I'd appreciate any suggestion on the issue.
Best,
--
Elif Nihal Korkmaz
Research Assistant
University of Wisconsin - Biophysics
Member of Qiang Cui & Thomas Record Labs
1101 University Ave, Rm. 8359
Madison, WI 53706
Phone: 608-265-3644
Email: korkmaz.wisc.edu
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Received on Wed Jun 27 2012 - 14:00:03 PDT
