Dear All,

the Gromacs User Manual V.4.5.4 states on p. 33: "(...) the surface tension and the z-component of the pressure can be coupled to a pressure bath. Presently, this only works with the Berendsen pressure coupling algorithm in GROMACS."

My question: does this hold for V. 4.5.5 as well? Is it possible to use the combination:

pcoupl            = Parrinello-Rahman
pcoupltype     = surface-tension

in an mdp file for a NPgammaT MD run?

Your help and comments will be greatly appreciated.

Best regards,

Felipe

--
gmx-users mailing list    gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Only plain text messages are allowed!
* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Reply via email to