[gmx-users] .top to .itp file conversion

[Mark Abraham]

On 28/11/2011 10:09 PM, yp sun wrote:
> I think by running pdb2gmx you can get .itp file.
>

... only if there are corresponding .rtp entries, which is likely not 
the case for GTP. pdb2gmx is not magic.

Mark

>
> Yeping Sun
> CAS Key Laboratory of Pathogenic Microbiology & Immunology
> INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES
> NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china
>
> --- *11?11?28?,??, David van der Spoel /<spoel at xray.bmc.uu.se>/* ??:
>
>
>     ???: David van der Spoel <spoel at xray.bmc.uu.se>
>     ??: Re: [gmx-users] .top to .itp file conversion
>     ???: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
>     ??: 2011?11?28?,??,??4:22
>
>     On 2011-11-28 09:20, neeru sharma wrote:
>     > Dear gromacs users,
>     >
>     > I have generated Amber topology and coordinate files for GTP
>     molecule.
>     > Then, I converted them into the corresponding gromacs topology
>     (.top)
>     > and coordinate files (.gro). Now, I need to convert this gromacs
>     .top
>     > file into .itp format.
>     > Is there any command in gromacs or any other tool to do so.
>     > Thanks
>     >
>     > ----
>     > Neeru Sharma
>     > CDAC,Pune (India)
>     >
>     >
>     >
>     emacs or vi. your choice.
>
>     -- 
>     David van der Spoel, Ph.D., Professor of Biology
>     Dept. of Cell & Molec. Biol., Uppsala University.
>     Box 596, 75124 Uppsala, Sweden. Phone:    +46184714205.
>     spoel at xray.bmc.uu.se
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