[gmx-developers] iparams size question
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
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?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-developers