[gmx-users] Usage of g_spatial

Christopher Neale chris.neale at mail.utoronto.ca
Wed May 8 05:07:47 CEST 2013

See my previous response. You don't need a .tpr for trjconv (unless you are doing pbc operations). trjconv -h will also tell you that. Just use trjconv -s my.pdb


-- original message --

Sorry for my ignorance, since the help manual uses tpr file for the first
two steps before running g_spatial, could you please tell me how I should
do them without tpr. Also when I just run g_spatial (without the first two
steps) I get the distribution of all the anions around cations, so it is
not informative.

Thank you so much for all the help

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