Thanks so much for your nice explaination, Mark. -Xianghong Qi On Wed, Nov 19, 2008 at 6:01 AM, Mark Abraham <[EMAIL PROTECTED]>wrote:
> xianghong qi wrote: > >> Hi, Mark: >> I put the energygrps = Methane1 Methane2 into mdp file. >> grompp gives one warning: >> WARNING 1 [file conf.top, line 47]: >> Can not exclude the lattice Coulomb energy between energy groups >> then grompp terminated. Could you give me a hint about his problem? >> Thanks. >> > > You are using an Ewald method for your electrostatic model (which > incorporates this so-called lattice sum) and that doesn't work with > exclusions. > > > Mark > _______________________________________________ > 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 > -- Some people make the world more special just by being in it.
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