[AMBER] MMPBSA sasopt problem

From: Debodyuti Dutta <dutta.debodyuti.gmail.com>
Date: Fri, 12 Jun 2015 12:10:31 +0530

Dear AMBER user,

I am trying to run MMPBSA on my system which has two zinc ions (paameter
files prepared from CHAMBER) . For my purpose I want to set sasopt=1. My
input file looks
like:-
Input file for running PB
&general
   endframe=1000, verbose=1,
   entropy=0
/
&pb
 inp=1, radiopt=0, istrng=0.150, saopt= 1,
/
&decomp
  idecomp=1, print_res="1-380"
  dec_verbose=1,
/

The calculation gives the following error:-
InputError: Unknown variable sasopt in &pb

Is it because of the CHAMBER files (for example, normal mode analysis is
not allowed in files prepared with CHAMBER) or I am in some error in making
the input?
Any advice will be very helpful.


*Debodyuti Dutta*
Research Scholar
Indian Institute of Technology Kharagpur
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Received on Fri Jun 12 2015 - 00:00:03 PDT
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