[gmx-users] Error with tabulated potential and tip4p water model
mark.j.abraham at gmail.com
Mon Aug 4 03:23:28 CEST 2014
Immediately, or after some EM steps?
On Sun, Aug 3, 2014 at 12:56 PM, Udaya Dahal <dahal.udaya at gmail.com> wrote:
> I have tabulated potential for all the possible combinations(non bonded).
> I am using Tip4p water model for the polymer water interaction. While
> running the energy minimization i got the error like below.
> Fatal error:
> Settle block crossing node boundaries
> constraint between atoms 664, 665, 666)
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> Any idea to slove this issue.?
> Thank you,
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