[gmx-users] regarding frames in gromacs

RINU KHATTRI nickname.mittu at gmail.com
Wed Nov 26 05:27:09 CET 2014


hi mark
 i am just asking ..how to the extract  frames from xtc or trr files
because i want to plot graph frame vs ..
thanks in advance

On Tue, Nov 25, 2014 at 5:41 PM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> Hi,
>
> Extracting the frame to a file is different from doing anything with g_rms,
> so I don't know what you are asking.
>
> Mark
>
> On Tue, Nov 25, 2014 at 11:46 AM, RINU KHATTRI <nickname.mittu at gmail.com>
> wrote:
>
>> thank you mark
>> but still my problem is unresolved how can i extract the frame g_rms
>> g_energy calculate the time in ps and rest of the quantities
>> but frames?
>> thanks in advance
>>
>> On Tue, Nov 25, 2014 at 3:32 PM, Mark Abraham <mark.j.abraham at gmail.com>
>> wrote:
>> > Hi,
>> >
>> > There are many analysis and post-processing tools available in Gromacs.
>> You
>> > will learn about how to use some of them when you take advantage of the
>> > great tutorial material people have provided for Gromacs. Also, chapter 8
>> > of the manual provides an overview of those analysis tools. This will
>> help
>> > you find information more efficiently.
>> >
>> > Mark
>> >
>> > On Tue, Nov 25, 2014 at 9:51 AM, RINU KHATTRI <nickname.mittu at gmail.com>
>> > wrote:
>> >
>> >> hello every one
>> >> i am working on complex with popc membrane i want to extract the
>> >> frames in gromacs because i want to plot graph frame vs
>> >> and for free energy calculation by some softwares i need  frames
>> >> how  can i extract it
>> >> kindly help
>> >> thanks in advance
>> >> --
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