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Bastien Loubet

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05/08/2013

06:25 PM GROMACS Bug #908: PME with non-linear virtual sites gives incorrect virial and pressure
I am not sure this belong to a redmine issue but I said in my previous post that I was going to update the issue once...

04/17/2013

10:22 AM GROMACS Bug #908: PME with non-linear virtual sites gives incorrect virial and pressure
>>Do I see correctly that you used virtual sites without any bonds constraints?
Yes.
>>Virtual sites can only be used...

04/15/2013

03:14 PM GROMACS Bug #908: PME with non-linear virtual sites gives incorrect virial and pressure
We have tried the virtual site on POPC lipids with GROMACS 4.6.1. There is still an increase of the area per lipid, I...

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