What the funct 1 means in itp file

GROMACS version:5.0.5
GROMACS modification: Yes/No
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Hi,I have question about what the funct 1 means in my itp file.Is there some specific functions?Although I have looked for the gromacs manuel,I cannot get the answer.Hope to get your help.


it means that the bond is a harmonic potential. See this table in the reference manual (the “func. type” column is for the value you are looking at): https://manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html#id36


Wow,that’s helpful.Thank you my friend.