[gmx-users] Gromacs

soumadwip ghosh soumadwipghosh at gmail.com
Wed Oct 7 16:10:55 CEST 2015

   How is it possible that you have finished up to production run without
the .top file ? The first line of your ebolaag.top says that the topology
has been generated. How have you been doing any of the equilibration steps
without the .top file? Information regarding atoms are there in the
and the ebolaag_Ion_chain_A2.itp files created by pdb2gmx. Your comments do
not make any sense to me.


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