Atomtype IP not found

[dvdvbrn]

Hello,

I am using ACPYPE v. 2020-10-24T12:16:34CEST to convert Amber topology containing Na+/Cl- ions into GMX topology. Upon running grompp I receive error:

ERROR 1 [file try1_GMX.top, line 19895]: Atomtype IP not found

When I go to the line 19895 it looks like this:

[ atoms ] ; id_ at type res nr residu name at name cg nr charge mass 1 IP 1 NA+ NA+ 1 1 22.9898

Question: what did go wrong? Is this something with my files, or with my current version installation?

Thanks!!!

[alanwilter]

Thanks for spotting this, it's legacy code and I think I have rooted out the problem, however, I need to test. Could you send you input files so I can try here, use my email please alanwilter _at_ gmail _dot_ com.

[alanwilter]

Fixed