[gmx-users] polymer in octahedron box pbc problem
gromacsquery at gmail.com
Thu Oct 1 13:43:30 CEST 2015
I have linear polymer in octahedron box and when I try to visualise a
polymer in octahedraon box then water octahedron box looks as expected but
my polymer looks broken.
trjconv_avx -f input.xtc -o out.xtc -pbc mol -ur compact -s input.tpr -b
I have tried to use -center (whole polymer selection) also but still it
I want to write some pdbs for some analysis and this way my polymer is
broken in pbc.
Thanks for any suggestions.
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