rama david wrote:
Hello
I am doing JUSTIN Protein-ligand tutorial.
I complete your Lysozyme tutorial before these one.
I complete tutorial upto the make-ndx
but after giving command grompp for nvt.tpr
production..
I get the following error
No molecule were defined in the system ,
I know somewhere I make mistake while following
instruction , but I did it for 3 times,so
please help me to check my mistake
(i am using GROMACS 4.5.4 )
After giving the command make_ndx
I choose the option system..Is
it the error source???
Potentially. The tutorial never has you use the "System" group for anything.
Follow instructions closely.
The original error suggests that you have either not defined any molecules in
the [molecules] directive of the .top (unlikely), there is otherwise some
mismatch between the two, or the index file is incorrect. The last two are the
most likely possibilities.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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