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

Mark Abraham Mark.Abraham at anu.edu.au
Mon Nov 28 09:27:11 CET 2011


On 28/11/2011 7:22 PM, David van der Spoel wrote:
> 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.
>

See http://www.gromacs.org/Documentation/File_Formats/.itp_File and 
examples in chapter 5 of the manual.

Mark



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