Dear GROMACS users,
I'm trying to do energy minimization on benzoic acid structure when I got this
error:
creating statusfile for 1 node...
Back Off! I just backed up mdout.mdp to ./#mdout.mdp.3#
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 1232 of the 1431 non-bonded parameter combinations
Cleaning up temporary file gromppX1d9K4
-------------------------------------------------------
Program grompp, VERSION 3.3
Source code file: toputil.c, line: 61
Fatal error:
Atomtype 'K' not found!
-------------------------------------------------------
I modified the ffgmx2.rtp by including the benzoic acid properties there.
Any solution or hint on the problem there? Thanks a lot.
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