Re: [gmx-users] Re: Difficulty running test particle insertion calculation

The integrator in your .mdp file is "md" when it should be "tpi." -Justin Jack Roberts wrote: I have now also tried defining separate energygrps in the input file thinking this was possibly a energy/charge group related issue, but I am still having no success. I still receive the same error.

[gmx-users] Re: Difficulty running test particle insertion calculation

I have now also tried defining separate energygrps in the input file thinking this was possibly a energy/charge group related issue, but I am still having no success. I still receive the same error. Any constructive responses would be helpful at this point. On Thu, Aug 6, 2009 at 12:04 PM, aeBie