>I suspect this is a bug, so I have filed an issue on redmine: > >http://redmine.gromacs.org/issues/784 > >In a previous issue (http://redmine.gromacs.org/issues/544), the "-chainsep >interactive" option did not work, but now it does. Conversely, "-chainsep ter" >(which should also work in this case) does not. > >-Justin
I get success in pdb2gmx, but I not only delete ter line but also all OXT lines according to this mailing list, http://www.mail-archive.com/gmx-users@gromacs.org/msg33251.html But I'm failed when I used mdrun in "-chainsep ter" case. Hsin-Lin
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