[gmx-users] ffg53a5

shahrbanoo karbalaee shahrbanoo at gmail.com
Wed Aug 27 08:27:31 CEST 2008

Dear justin
I cannot find my error.I make mix solvent tfe and spc  ( was
minimized)and solvate on  a peptide.I use ffg53a5 .I take this error
.I saw in line 61 in top file but there is not  Ho  in top file and
rtp file ffg53a5. what do i de?please help me.

Back Off! I just backed up mdout.mdp to ./#mdout.mdp.6#
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 165 of the 1596 non-bonded parameter combinations
Cleaning up temporary file gromppIpCYKg

Program grompp, VERSION 3.3.2
Source code file: toputil.c, line: 61

Fatal error:
Atomtype 'HO' not found!

best regards

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