[gmx-users] topology parameters

mah maz mahmaz71 at gmail.com
Sun Sep 6 08:36:45 CEST 2015

Dear users,

Are resnr, residue, moleculetype, system and molecules names in .top file
important? I have a CNT containing water molecules. I can see weather I
assign CNT to all the molecules as residue names Or CNT and water, results
are the same. Also if I use 1 for CNT as resdnr and 2 for water Or 1 for
all of them I get the same results! Are they only names or something else
eg. type is important in this case?


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