[gmx-users] Re: error when running grompp

[Justin A. Lemkul]

delara aghaie wrote:
> Dear Gromacs users
> I ahve a dppc monolayer on water layer 9tip4p-2005). I have added 8 Mg 
> and 16 Cl ions using genion and now want to use grompp and then start 
> the simulation to see the effect of ions on the pressure-area isotherm 
> of the system.
>  
> running grompp in gromacs 3.3 I see he following error:
> please help em to solve it.let me knoe please what is cpp?

The C-preprocessor.  In ancient Gromacs versions like this one, it was needed to 
interpret include, define, ifdef, etc.

Your main problem is this:

> topoldppc.top:7:20: error: ions.itp: No such file or directory

which then results in:

> -------------------------------------------------------
> Program grompp_mpi, VERSION 3.3
> Source code file: toppush.c, line: 1264
> Fatal error:
> No such moleculetype Mg
> -------------------------------------------------------
> Thanx for Using GROMACS - Have a Nice Day
> 

Either your #include statement in your .top is wrong or your cpp is 
nonfunctional, but I suspect the former.

-Justin

-- 
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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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