dear justin,
Hello,after 5ns MD,based on your recommend, I use" trjconv -f -s -pbc -mol
-center -o *.pdb" command to get the whole protein without any separation,but I
found some part of the residue was broken,and some new bond at the end of some
residue was formed.I need the intact molecule for docking,but how should I
solve
this problem.
any advice was appreciate.
tanks,
--
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