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
--
========================================
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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