Dear Jason
Thanks for your answer
I don’t have Amber 14 license, then based on your suggestion, I will use
AmberTools 14 includes sander. Now, I have 3 questions:
1) Is pmemd needful for sander and md simulation. Can’t I use sander in
AmberTools 14 without pmemd? Please give me more explanation about the
importance of pmemd.
2) Is there any instruction for installation of AmberTools 14 on CentoS 6.3?
3) Already, I had installed AmberTools 14 Ubuntu 11.04 using this link:
http://bgamari.github.io/posts/2011-10-16-amber.html
<
http://bgamari.github.io/posts/2011-10-16-amber.html>
you said, sander is included in AmberTools 14. How to use sander in
AmberTools 14? Using following command?
$AMBERHOME/exe/sander -O -i *.in -o *.out -p *.prmtop -c *.inpcrd -r *.rst
Is it true?
Thanks in advance.
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Received on Tue Apr 21 2015 - 21:30:07 PDT
