I agree with that. But I don't know why, when using tabulated potential, I cannot even get a box of LJ particles to have energy conservation in NVE. Anyone has some idea?
Zhe On Tue, Dec 8, 2009 at 3:52 AM, XAvier Periole <x.peri...@rug.nl> wrote: > > One solution would be to use tabulated potential for which the > analytical form does not matter. > > On Dec 8, 2009, at 4:29 AM, Mark Abraham wrote: > >> hong bingbing wrote: >>> >>> Dear all, >>> Has anyone tried to use 2 van de Waals interaction types in one system? >>> For example, the system includes two components A and B. The van de Waas >>> interaction for A is LJ type, while for B Buckingham form is used. Can >>> GROMACS support two forms simultaneously? >> >> No. How would you describe the vdW interaction between an atom from A and >> one from B? >> >> If the reason for this question is based on a desire to mix two force >> fields - don't. >> >> Mark >> -- >> gmx-users mailing list gmx-us...@gromacs.org >> http://lists.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 gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > -- > gmx-users mailing list gmx-us...@gromacs.org > http://lists.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 thewww interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- 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/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/mailing_lists/users.php
