Dear all,
I have created a .GRO file from a PDB file for a polymer. However in the PDB I
have positive and negative charges of some ions where as in the produced GRO
file these disappear. Are those charged atoms taken into account in the gro
file as I will be doing a MD simulation of such polymers with nanotubes later
and I dont want to work with the wrong GRO file....if the answer is no, how do
I include them? Thanks
Regards
ELie --
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