[gmx-users] adding a new atom type

[Shima Arasteh]

Hi,


The force field which I am using is CHARMM36.
I added some new atom types to the atomtypes.atp .  Then I need to change the nonbonded.itp file. Are the atom names are used in .itp files? So how I find a last-defined atom types in the .itp file?

I just renamed some atomtypes and then added as the new atomtypes to .itp file, so I want to find a purposed atomtype and use its vdw parameter ( the same as what existed in .itp file.) 


Thanks in advance,


Cheers,
Shima