GROMACS version: 2022.1
GROMACS modification: No
Here post your question:
Hello and thank you for considering this:):
For the below subsection:
Membrane Protein: KALP15 in DPPC
Step Three: Defining the Unit Cell & Adding Solvent
1. Orient the protein and membrane
I adjusted my forcefield appropriately I believe previously and input the below command:
gmx grompp -f minim.mdp -c dppc128.pdb -p topol_dppc.top -o dppc.tpr
and received the following Fatal Error:
Fatal error:
Topology include file “gromos53a6_lipid.ff/forcefield.itp” not found
The forcefield.itp file is present (see.screenshot attached) accordingly maybe I just need to
adjust its position? And or something else?
Thanks:)
Joel
You put it in the source code but that doesn’t make it available when actually running grompp, unless you also specified that the force field be added to the installation target list. The tutorial tells you to simply create the force field directory in the working directory.
Hi Justin thanks a bunch:)
HI, I am also facing same error, while I have the folder in my working directory. How did you resolve it?
Thanks.
Hi Himanshi09, is your forcefield in the directory mine was in or if not show me a screenshot where it is as I had done in this thread then maybe I can help, thanks:)
sure, I have uploaded location of forcefield.itp in my working directory and in gromacs installation folder.
Thank you.
Hi your welcome and thank you but please show me a screenshot like the one I exhibited please, thanks if you can:)
I think this should work!
Hi Himanshin09 please see the below screenshot and likewise note that you need to drag the gromos53a6_lipid.ff/forcefiled.itp folder into your working folder which in my case is called Membrane_Protein (it was a while ago that I fixed this error so hopefully this is your solution:):
Hi, I got your point but I have already done this. This is what I was trying to show in my second image that gromos53a6_lipid.ff folder is already in my working directory folder named as lig21_1673 in my case. But i still got the same error.
Should I again drag this folder into my working folder and again do necessary changes as told in the kalp-15 tutorial, that implies to start over again?
Hi himanshi09 thank you for your kind update:).
Please exhibit to me where this gromos53a6_lipid-ff folder is but the way that I exhibited so
we can be sure?
Thanks💡
Hi mjsubach, it was some ubuntu error to not find that directory, and it has been now resolved. Thank you so much for the help :).
Hi himanshio09 ok great im glad your problem was resolved we keep in touch since we are both working on the same programs:)
