Eduardo Oliveira wrote:
Hi all,
I' ve stumbled upon a problem when i used genion to prepare my files.
Here's the comand line:
genion_d -s sistema_stpr.tpr -o sistema_ions.gro -nname CL- -nn 3 -nq -1
-p sistema.toI
I've got this in return:
Fatal error:
Your solvent group size (73282) is not a multiple of 19.
What did you choose as the group in which to insert ions? If you chose
"System," that's an incorrect approach. I would suggest you refer to to some
basic tutorial material to make these workflows more clear.
http://www.gromacs.org/Documentation/Tutorials#General_GROMACS_Use
-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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