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 /<[email protected]>/* ??:
???: David van der Spoel <[email protected]>
??: Re: [gmx-users] .top to .itp file conversion
???: "Discussion list for GROMACS users" <[email protected]>
??: 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.
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