Hi all,
I am trying to make restraints to zinc ions in a protein I would like to
run a MD simulatoin on but I get the following error :
# makeDIST_RST
Currently configured for up to 50000 atoms
Using MAP file ~/amber12/dat/map.DG-AMBER
ERROR no map function for ZN ZN :data= 333 ZN ZN 23 HID
NE2 2.1
I ran the cmd
~amber12/bin/makeDIST_RST -upb rst_file -pdb tmp.pdb -rst RST.dist
the 7-column file looks like this
333 ZN ZN 23 HID NE2 2.1
Any advice thanks
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Received on Fri Feb 14 2014 - 12:30:03 PST
