[gmx-users] #ifdef in *.rtp - is it possible ?
David van der Spoel
spoel at xray.bmc.uu.se
Fri Jan 28 11:33:32 CET 2005
On Fri, 2005-01-28 at 12:10 +0200, Arturas wrote:
> Is there any suggestions then ?
make two different entries with different name and modify your pdb file
accordingly.
>
> Arturas
>
>
> |----->
> DvdS> On Fri, 2005-01-28 at 11:36 +0200, Arturas wrote:
> >> I have two forms of HEME with different atomic composition and some
> >> parameters. I want to modify ff*.rtp file in the way that could use
> >> both forms on my demand.
> >>
> >> Manual mentions that *.top files use #ifdef statment. Can I use it in
> >> *.rtp ??
> >>
>
> DvdS> no.
>
> <-----|
>
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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