[gmx-users] genion error sol not continuous

James Lord jjamesgreen110 at gmail.com
Thu May 14 07:25:16 CEST 2015


Hi all,
I am trying to neutralize this system (1HFX.gro) and genion is complaining
about solvent not being continuous,then I made the 1HFX_modified.gro in
which
I have replaced HOH from 1HFX.gro with SOL and cut paste them at the end of
the file. I am expecting gromacs to do the reordering for SOL. Am I missing
anything?
The 1HFX_modified.gro looks fine to me but keep giving the error. Any
comments?

https://drive.google.com/file/d/0B0YMTXH1gmQsTHR0NXhfNWk1SDA/view?usp=sharing
https://drive.google.com/file/d/0B0YMTXH1gmQsVHFDQUgwamwtRW8/view?usp=sharing

Cheers
James


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