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. -Xianghong Qi On Wed, Nov 19, 2008 at 3:54 AM, xianghong qi <[EMAIL PROTECTED]>wrote: > Thanks, Mark. > -Xianghong Qi > > On Wed, Nov 19, 2008 at 3:46 AM, Mark Abraham <[EMAIL PROTECTED]>wrote: > >> xianghong qi wrote: >> >>> Hi, Mark: >>> for these two cases >>> energygrp_excl = Methane1 Methane2 >>> and energygrp_excl = methane1 methane2 >>> I got same error: methane1(or Methane1 ) is not energy group. >>> >> >> OK, so now that it's a group, you need it to be an energy group - see >> energygrps. >> >> >> 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. > -- Some people make the world more special just by being in it.
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