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
