[gmx-users] Implicit Water Simulation

ifat shub shubifat at gmail.com
Thu Jul 28 14:19:39 CEST 2011


Hi,
I am trying to run a simulation with implicit water on explicit ions - Na,
CL to see the disassembly of NaCL.
I get the following error message:
GB parameter(s) missing or negative for atom type 'opls_401'
GB parameter(s) missing or negative for atom type 'opls_407'
Is it possible to run this kind of a simulation? If yes, How?
Thanks,
Ifat

Ifat Shub
M.Sc. Student
Bar Ilan University
Israel
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