[gmx-users] Surface tension coupling with Parrinello-Rahman algorithm

[Giuseppe Léonardo Licari]

Dear all,
I have a question concerning the Surface-Tension pressure coupling in NPT simulation of a water/dodecane interface. In the Gromacs 5.1 manual it is reported that the coupling of the surface tension to the XY-plane works only with Berendsen algorithm. I tried to do the MD simulation with surface-tension coupling and Parrinello-Rahman algorithm and grompp did not complain. Also the simulation runs nicely and gives reasonable results. So, why is the simulation working with Surface-tension Parrinello-Rahman coupling? Can I trust the result from this simulation?

I thank you for the help and wish a really nice day.
Best regards,
Giuseppe

p.s.: there was a previous discussion on this topic but without a real answer to my points.