[gmx-developers] iparams size question

francesco oteri francesco.oteri at gmail.com
Sat Apr 6 19:52:59 CEST 2013

Dear gromacs developers,
on the webpage describing the data sructures (
it is written that "t_iparams *iparams; *//matrix of size atnr² with
interaction params"*

but looking at the different part of the code (ex pr_iparams in txtdump.c)
it is clear that in iparams there are all the parameters for the possible
nteractions, so for sure is more than atnr**2 and it seems to me that the
size should be ntypes.

Am I wrong?

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