[gmx-users] question on ffG43a1p force field

Lei Qian tuk04130 at temple.edu
Fri Aug 16 08:16:02 CEST 2019


Sorry for this basic question.
I read previous emails and tried to make pdb2gmx find ffG43a1p.ff.
I added #include "ffG43a1p.itp" in FF.dat in ffG43a1p.ff folder. Also tried
to create a file called forcefield.doc and wrote "ffG43a1p" into it.
I put these files in working directory
and /usr/local/gromacs/share/gromacs/top/ directory. However, neither of
them worked.
Could I ask how to solve this problem?
Thanks
lei


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