[gmx-users] tcoupling error
Justin A. Lemkul
jalemkul at vt.edu
Sun Oct 26 16:03:28 CET 2008
shahrbanoo karbalaee wrote:
> Dear
> thanks for your answer. I did as you tell me about using capital
> letter .about charge I guess it related to tfe and protonated amino
> acid.after change it I still have this warning.
>
Then it's not case sensitivity, but what Mark told you is still right. The
warning is there to alert people who couple (for example) ions separately. If
your protein just happens to be small, then you will see the warning. It is not
necessarily a problem.
-Justin
> best
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
More information about the gromacs.org_gmx-users
mailing list