[gmx-users] Doubt from topology creation using g_x2top

rakesh.pant at students.iiserpune.ac.in rakesh.pant at students.iiserpune.ac.in
Sat Feb 18 19:31:44 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. 
Thanks



Rakesh



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