[gmx-users] ffg53a5

[Justin A. Lemkul]

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

-- 
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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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