I am not sure what I'm missing here. I just ran an example from /tutor/water and got even worse number for specific heat, around 12.5 J/mol.K. Sure, it was with Berendsen T-coupling, no shifted VdW, but one would still expect better number. Anyone? Thanks, Frankie _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
- [gmx-users] 1. better tool: g_hbond or trjorder 2. g_e... Frankie Montenegro
- Re: [gmx-users] 1. better tool: g_hbond or trjord... David van der Spoel
- Re: [gmx-users] 1. better tool: g_hbond or tr... Frankie Montenegro
- Re: [gmx-users] 1. better tool: g_hbond o... David van der Spoel
- Re: [gmx-users] 1. better tool: g_hbond or trjord... Mark Abraham
- Re: [gmx-users] 1. better tool: g_hbond or tr... Frankie Montenegro
- Re: [gmx-users] 1. better tool: g_hbond o... Frankie Montenegro
- Re: [gmx-users] 1. better tool: g_hbo... David van der Spoel
- Re: [gmx-users] 1. better tool: g_hbo... Frankie Montenegro
- Re: [gmx-users] 1. better tool: ... David van der Spoel
- Re: [gmx-users] 1. better to... Frankie Montenegro
- Re: [gmx-users] 1. bette... Frankie Montenegro
- Re: [gmx-users] 1. bette... David van der Spoel
- Re: [gmx-users] 1. bette... Frankie Montenegro