[gmx-users] tfe.itp
shahrbanoo karbalaee
shahrbanoo at gmail.com
Wed Aug 20 08:06:09 CEST 2008
Dear justin
I made topology top for tfe with gromos53a5.and I solvated in spc and
40molecule tfe.I includeed tfe.itp in topology.but when I do grompp I
get this error.(I edit the name of atoms with name in rtp file HT)
Generated 165 of the 1596 non-bonded parameter combinations
ERROR 0 [file "topol.top", line 57]:
No default Proper Dih. types
Cleaning up temporary file gromppsYSJRG
-------------------------------------------------------
Program grompp, VERSION 3.3.2
Source code file: toputil.c, line: 61
Fatal error:
Atomtype 'HO' not found!
-------------------------------------------------------
my topology file is attached.
best
--
sh-karbalaee
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