[gmx-users] question on dihedrals propers func 3 and impropers func 1

Lei Qian tuk04130 at temple.edu
Sat Feb 1 22:20:53 CET 2020


Dear users,

Could I ask a question on dihedrals func types? Thanks!

I used acpype to convert prmtop file and inpcrd file into gromacs files.
However, in new generated top file,
The dihedrals propers func is 3. and The dihedrals impropers func is 1.

These two func types are different from propers func 9 and impropers func 4.
(func type 9 and func type 4 can be found in Gromacs documents).

Could I ask the meaning of func type 3 and func type 1 ?

Thanks!
Lei


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