[gmx-users] Problem with Amber99SB-ILDN ff
Melchor S.
msmqbm at cid.csic.es
Mon Jul 8 12:36:58 CEST 2013
I am trying to create the gromacs topology and gro file, using pdb2gmx, with
the Amber99SB-ILDN ff. The problem is that my protein has two chains, but
the second one, is a one residue chain, that contains a GLU.
When I try it I obtain:
Fatal error:
In the chosen force field there is no residue type for 'GLU' as a starting
terminus
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
Some of you knows how to solve it?
Thanks in advance
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