[gmx-users] topology include file "gmx43a1.ff/ffG43a1.itp " not found

[Mark Abraham]

Hi,

None of these are names of files present in share/top of your GROMACS
installation directory. Look there, and choose accordingly.

Mark
On 08/03/2015 5:04 am, "marzieh dehghan" <dehghanmarzieh at gmail.com> wrote:

> Hi every body
>
> I want to perform molecular dynamics using gromacs for a covalent bond, so
> I used topol build to create a topology file. after holding the following
> command:
>
> grompp -f ions.mdp -c test.gro -p test.top -o ions.tpr
>
> I confronted this error: topology include file "ffG43a1nb.itp" not found
> I changed* fftest.itp* from  #include "ffG43a1nb.itp " to  #include
> "gmx43a1.ff/ffG43a1nb.itp "
>
> and
>
> I modified *test.top* as the following
>
> the force filed file to be included
>
> #include "ffG43a1nb.itp " ======== #include "gmx43a1.ff/ffG43a1nb.itp "
>
> include water topology
> #include "spce.itp" ======= #include "gmx43a1.ff/spce.itp "
>
> include generic topology for ions
>
> #include "ions.itp "========= #include "gmx43a1.ff/ions.itp "
>
> at the end of the above modification, I confroneted a new error
>
> topology include file "gmx43a1.ff/ffG43a1.itp " not found
>
>
>
> I am looking forward to getting your answer
>
> thanks in advance
>
>
>
>
> --
>
>
>
>
> *Marzieh DehghanPhD Candidate of BiochemistryInstitute of biochemistry and
> Biophysics (IBB)University of Tehran, Tehran- Iran.*
> --
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