GROMACS version: 2023
GROMACS modification: No
Hello Gromacs community,
I am trying to put a restraint between two atoms in the itp file. I want to use the flat bottom potential, which is type 10. From the manual, I see, for type 8, the two restraint atoms are not chemically bonded so that the pairwise interaction, such as LJ and VdW will be kept. But it does not mention for type 10. Is type 10 working same as type 8?
They are not working in the same way. Type 8 is treated as a chemical bond and generates exclusions. Type 10 is treated as a restraint potential and does not generate exclusions.
Sorry, I misspoke. I mean type 6 and 10. But I got your point — type 10 does not treat two atoms as a bond. A follow up question on the up1,2 parameter: if I define up1=up2, will the upper potential be like a quadratic or linear function?
Thanks!