> or should i be doing < U+<V>*ref_p > = <H>? More specifically, <U> + <V>*ref_p = H
<H> isn't really meaningful thing. I mean, you can define something such that <H*> = H, but that's not really thermodynamics. > example system gives <H> = -1168 kJ/mol and i find <H> = -725 kJ/mol either Interesting. What material at what phase conditions? For liquids, the PV contribution should be very small. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * 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
