[AMBER] [Amber]-help-messy rst output using Sander

From: Yuwei Song <songyw1991.gmail.com>
Date: Wed, 12 Jun 2019 13:13:26 -0500

Hi Amber
I was using sander for a complex minimization under Amber 18.
The out file did not show any error, however, the rst file generated showed
messy code.
Here is my in file

vi min-complex.in

=====BEGINNING OF FILE =====

JOB: Initial Minimization of Protein Complex
 &cntrl
  imin = 1,
  maxcyc = 10000,
  ncyc = 500, dx0 = 0.005
  ntf = 1, ntb = 0,
  cut = 10.0, nsnb = 20,
  ntr = 0,
 &end

===== END OF FILE =====

sander -O -i min-complex.in -p 5AVIVDB.prmtop -c 5AVIVDB.inpcrd -ref
5AVIVDB.inpcrd -o min-complex.out -r 5AVIVDB-min.inpcrd -x
5AVIVDB-min.mdcrd -inf 5AVIVDB-min.mdinfo

I also attached my .out file. Please help me figure out where is going
wrong?
Thank you very much

-- 
Scholar, Dr. Andrzej Slominski Laboratory
Dept. of Dermatology
The University of Alabama at Birmingham
Phone: (205) 447-9238
Email:songyw.uab.edu <Email%3Ayhsong.uab.edu>



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Received on Wed Jun 12 2019 - 11:30:02 PDT
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