[gmx-users] GTP in topology
Maik Goette
mgoette at mpi-bpc.mpg.de
Thu Apr 17 11:29:17 CEST 2008
It means:
Include the topology, you got from the PRODRG server as an itp file in
your general topology file....
If you don't know, what I mean, read the manual about including
topologies...
Btw, more info, more answer
regards
Maik Goette, Dipl. Biol.
Max Planck Institute for Biophysical Chemistry
Theoretical & computational biophysics department
Am Fassberg 11
37077 Goettingen
Germany
Tel. : ++49 551 201 2310
Fax : ++49 551 201 2302
Email : mgoette[at]mpi-bpc.mpg.de
mgoette2[at]gwdg.de
WWW : http://www.mpibpc.gwdg.de/groups/grubmueller/
s lal badshah wrote:
> Hi All,
> I have taken the GTP topology from PRODRG server but now how can I make
> a connection with my original topology file: As in Errors of Gromacs it
> is mentioned
>
> ==> find a topology file
> <http://wiki.gromacs.org/index.php/topology_file> for the residue /
> molecule and include as a .itp file
> <http://wiki.gromacs.org/index.php/.itp_file>,
>
> what does it means? I am using OPLS/aa force field.
> Regards,
> Lal badshah.
>
>
> *SYED LAL BADSHAH
> M.Phil Scholar
> NCE in Physical Chemistry,
> University of Peshawar.
> NWFP,Pakistan.
> Cell # 03349060632.*
>
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