Hello, i) I use a NPT ensemble to get the heat capacity c(p). But I always get c(V) when I use option -vis where some properties are listed. What is the standard way to extract the isobaric heat capacity? Which tool should I use?
ii) The thermal compressibility is never listed when I use g_energy. I use a NPT ensemble, same as in i). How can I get the thermal compressibility with g_energy exactly? Regards, Thomas -- Schon gehört? GMX hat einen genialen Phishing-Filter in die Toolbar eingebaut! http://www.gmx.net/de/go/toolbar -- 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
