[gmx-users] Re: generating user-defined topologies for surfaces

Valentina valentina.erastova at durham.ac.uk
Wed Jul 31 14:57:48 CEST 2013


Sorry, still confused here:

I have a cell, that is same as residue, contains an inorganic crystal. But
since I am creating a surface I have bonds going across periodic boundary,
like Al and O shown on the pic? Can I still do it? How do I input it into
molecule.rtp? 
Thank you,
V
<http://gromacs.5086.x6.nabble.com/file/n5010233/Screen_Shot_2013-07-31_at_13.41.17.png> 



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