[gmx-users] Doubt from topology creation using g_x2top

Rakesh Pant rakesh.pant at students.iiserpune.ac.in
Thu Feb 16 07:32:52 CET 2017

Dear all,

I am trying to create a topology for a molecule using g_x2top and have
defined all the atoms with connectivity in *atomname.n2t* file with
different opls no. for all different types of atoms.

But when I create topology, it does not identify all different atomtypes
and takes one common opls no. for some of the atoms.



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