Dear Jason Swails
Thanks for quick replying. I knew there are some some problems in the
script (that is suggested by the amber's tutorial) but I don't know how to
correct them. I wrote in the last comment, I first create mdin.in file and
then run sander in the terminal and I have problem again.
Your Sincerely
Nasiri
mdin.in
=======================================================
minimization
&cntrl
imin=1,
ntpr=100,
ntwx=100,
maxcyc=10000,
ntb=1,
&end
======================================================
$ sander -O -i mdin.in -o min1.o -p ionicbox.prmtop -c ionicbox.inpcrd -r
min1.x -x min1.nc -e min1.dat
*Segmentation fault*
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Received on Wed Dec 11 2013 - 08:00:03 PST
