[gmx-developers] tpxio.cpp modification - adding a new dihedral restraint

[Shima Arasteh]

Hi,

I am adding a new function of Dihedral Restraint to the existing DIHRES
function. I added the new function(let's say DIHRES2) in bonded.cpp and
topdirs.cpp. But I have a question regarding modification of tpxio.cpp.
I added DIHRES2 as a new case under "do_iparams". But I have a less
understanding about what it is going in the tpxio.cpp file. Should I add
the DIHRES2 under the "static const t_ftupd ftupd[ ] = {...} "? Should I do
any other changes on this file?
I would be really appreciated if you could give me some comments about
modification of tpxio.cpp, please?

Thank you,
Shima A
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