[AMBER] antechamber run for FAD

From: 홍종희 <croshong.nate.com>
Date: Fri, 19 Feb 2016 19:12:20 +0900

    Dear AMBER users

   I'm now trying to generate parameters for FAD

   but it faills with following error sign

   [user1.hongserver FAD_temp]$ antechamber -i FAD_h.pdb -fi pdb -o FAD.mol2
   -fo mol2 -c bcc -s 2
   Running: /usr/local/amber14/bin/bondtype -j full -i
   ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac
   For atom[1]:P1, the best APS is not zero, bonds involved by this atom are
   frozen
   For atom[3]:P2, the best APS is not zero, bonds involved by this atom are
   frozen
   The frozen atom type can only be 1, 2, 3, 7 (aromatic single), 8 (aromatic
   double)Error: cannot run "/usr/local/amber14/bin/bondtype -j full -i
   ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in
   judgebondtype() of antechamber.c properly, exit

   Is there anybody who knows what the above error means ?

   and Any kind of suggestion about how to solve this problem?

   Attached files are template PDB(FAD_h.pdb).

   Thanks

   [?usn=13646389&email=croshong.nate.com&key=b44dfca3102e28c191431c7d5dda702a$
   2da3df6b.mail3.nate.com]


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Received on Fri Feb 19 2016 - 02:30:04 PST
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