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

yp sun sunyeping at yahoo.com.cn
Mon Nov 28 12:09:19 CET 2011

I think by running pdb2gmx you can get .itp file.

Yeping Sun
CAS Key Laboratory of Pathogenic Microbiology & Immunology
NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china

--- 11年11月28日,周一, David van der Spoel <spoel at xray.bmc.uu.se> 写道:

发件人: David van der Spoel <spoel at xray.bmc.uu.se>
主题: Re: [gmx-users] .top to .itp file conversion
收件人: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
日期: 2011年11月28日,周一,下午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    http://folding.bmc.uu.se
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