On 4/14/13 3:09 PM, fatemeh ramezani wrote:
the command that I used is :
g_energy -f md300.edr -s fws_md300.tpr -o energy.xvg -pairs
pairs.xvg
The -pairs option is not relevant for what you are trying to do. From g_energy
-h:
"Additionally running time-averaged and instantaneous distances
between selected pairs can be plotted with the -pairs option."
This option is only to be used when employing distance restraints, hence
g_energy fails when it finds none. You need neither -pairs nor -s.
-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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