Please post your .top and tfe.itp.
-Justin
shahrbanoo karbalaee wrote:
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
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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