On 5/3/13 7:56 AM, Ahmet yıldırım wrote:
Dear users,
I tried to calculate the order parameter of benzene ring of the ligand
using g_order but I have a error as the following :
make_ndx -f topol.tpr -o order.xvg
a C1 C2 C3 C4 C5 C6
Found 6 atoms with names C1 C2 C3 C4 C5 C6
26 C1_C2_C3_C4_C5_C6 : 6 atoms
q
g_order -f traj.xtc -s topol.tpr -n order.ndx -order.xvg
Fatal error:
grp 1 does not have same number of elements as grp 1
g_order calculates order parameters for lipid acyl chains and thus is not
applicable here.
What should I do?
Consult Chapter 8 of the manual to see if there is a program that is capable of
calculating the quantity you are interested in.
-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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