[gmx-users] error in implicit MD

Vishwambhar Bhandare vishwayogi at gmail.com
Tue Mar 6 11:39:04 CET 2018

Dear gromacs user,

I am trying implicit simulation on my system.
I am getting the error during equilibration as,
"Can't do GB electrostatics; the implicit_genborn_params section of the
forcefield is missing parameters for 19 atomtypes or they might be

The Version I am using is 4.5.4

If I use the latest version of gromacs 2016.4,
i get error as copied below,

ERROR 1 [file em.mdp]:
  With Verlet lists only full pbc or pbc=xy with walls is supported

my mdp file is enclosed for reference.

Dr. Vishwambhar Vishnu Bhandare
Post Doctoral Fellow
Department of Biosciences and Bioengineering
Indian Institute of Technology

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