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Stephan Mohr

  • Registered on: 06/07/2018
  • Last connection: 09/11/2018

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09/11/2018

07:43 PM GROMACS Bug #2637: gmx solvate tears apart molecules
Indeed, eliminating the periodic wrap around of the molecules seems to solve the problem!
As you say, it might be ...

09/06/2018

12:46 PM GROMACS Bug #2637: gmx solvate tears apart molecules
Paul Bauer wrote:
> Hello, having a look at it!
> One question, it looks like the solvent in solvent.gro is already...
10:56 AM GROMACS Bug #2637 (New): gmx solvate tears apart molecules
I try to solve a molecule with a solvent (a mixture of methane, propane and decane) that I have prepared previously. ...

06/07/2018

01:47 PM GROMACS Bug #2550 (Closed): gmx solvate crashes in version 2018.1
I want to solvate a molecule within a large box of various solvent molecules. This worked flawlessly in version 5.1.4...

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