shahrbanoo karbalaee wrote:
Dear justin
you are right .that file was distorted.I used -pbc without no jump.I
need to use trjconv for minimized the box .please advise me.
What file? What does it mean "without nojump"? Why do you need to use trjconv?
If you're running MD, the first step is removal of periodicity.
I am unclear as to what you are doing. If you can provide more procedural
details (i.e. commands and explanations), maybe that will clear things up.
-Justin
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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