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

[marzieh dehghan]

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.*