On 3/25/13 3:00 PM, Shima Arasteh wrote:
Yes, you are right. Because I have read the include mechanism in website many
times, but I dont undrestand it in deep! :-(
I may need to study more.
I would again suggest focusing more on the position restraints contents
themselves. Your formulation for #including them is correct. The contents of
lipid_posre.itp are not. There is substantial discussion on the topic of
position restraints in the manual, as well as the help description of genrestr
(especially the part that starts with "WARNING"), which I am willing to bet will
solve your issues if you read it carefully.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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