[gmx-users] HC atomtype

[mahbubeh zarrabi]

when I'm trying to use the Tielman's lipid.itp I
always have the following error message:

Second default directive found in lipid.itp line ...

[defaults] in lipid.itp are defined after [defaults]
in ffgmx.itp because ffgmx.itp shuld be included
before lipid.itp. I wonder if I can just delete
[defaults] from lipid.itp.
How to fix this problem?
thanks


> > or if i put ";" in the line 9 of lipid.itp >>>>
atomtype LC3 not found
> > or if i put ";" in the line 9 of lipid.itp and put
> > [ defaults ]
> > ; nbfunc        comb-rule       gen-pairs      
fudgeLJ fudgeQQ
> >   1             1               no             
1.0     1.0
> >
> > in the .top file, the same error comes.
> >

--- Mark Abraham <mark.abraham at anu.edu.au> wrote:

> > Dear all
> > I want to run grompp command for making .tpr file
> of
> > POPC+Protein.I've been using the
> ffgmx.itp,lipid.itp
> > and i've removed the lipid.itp of the
> >  .top file, but it gives a fatal error  :
> >  Atomtype 'HC' not found!
> > Any help will be highly appreciated.
> 
> I'm guessing HC will be defined in lipid.itp. Why
> take it out?
> 
> Mark
> 
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