[gmx-users] no residue type with Amber99SB-ILDN ff
Ahmet yıldırım
ahmedo047 at gmail.com
Fri Feb 6 12:43:46 CET 2015
Dear users,
I get the following error when i use pdb2gmx tool of GROMACS 4.6.5, with
the AMBER99SB-ILDN ff. My command:
pdb2gmx -f protein.pdb -o protein.gro -p protein.top
Fatal error:
In the chosen force field there is no residue type for 'LYS' as a
standalone (starting & ending) residue
The pdb2gmx gives this error though terminal residues are prefixed with N
and C.
Could there be something wrong with the input .pdb file? But i dont get
this error with another forcefield, 43a2.
--
Ahmet Yıldırım
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