[gmx-users] HC atomtype
zarrab_m at yahoo.com
Thu Oct 11 10:23:06 CEST 2007
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?
> > 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
> > 1 1 no
> > 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
> > POPC+Protein.I've been using the
> > 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?
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at
> http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the
> list. Use the
> www interface or send it to
> gmx-users-request at gromacs.org.
> Can't post? Read
Yahoo! oneSearch: Finally, mobile search
that gives answers, not web links.
More information about the gromacs.org_gmx-users