<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear GROMACS users,<br><br>I'm trying to do energy minimization on benzoic acid structure when I got this error:<br><br> creating statusfile for 1 node...<br><br>Back Off! I just backed up mdout.mdp to ./#mdout.mdp.3#<br>checking input for internal consistency...<br>calling /lib/cpp...<br>processing topology...<br>Generated 1232 of the 1431 non-bonded parameter combinations<br>Cleaning up temporary file gromppX1d9K4<br>-------------------------------------------------------<br>Program grompp, VERSION 3.3<br>Source code file: toputil.c, line: 61<br><br>Fatal error:<br>Atomtype 'K' not found!<br>-------------------------------------------------------<br><br>I modified the ffgmx2.rtp by including the benzoic acid properties there.<br>Any solution or hint on the problem there? Thanks a
lot.<br><br><br></div></div><br>
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