[gmx-users] conversion of a trajectory from .trr to .gro

[Justin Lemkul]

On 9/18/17 4:18 PM, gangotri dey wrote:
> Hello!
>
> I would save it in vmd all at once but I would like to ideally save it in
> separate files. Also, the trajconv statement did not work.
>

Your original error will be solved by passing a .tpr file to trjconv -s, 
as suggested below.  If you want to save intervals of time into separate 
files, use -b and -e.

-Justin

>
> *Thank you*
>
> *Gangotri *
>
>
>
>
>
> On Mon, Sep 18, 2017 at 3:08 PM, R C Dash <rcdash0910 at gmail.com> wrote:
>
>> Open you the gro file in VMD. Add load data and show the trr or xtc file.
>> right click on to it and save coordinate. File type. gro.
>> or
>> trajconv -f xxx.trr or xtc -s xxx.tpr -o xxx.gro
>>
>> RC Dash,
>>
>>
>> On Mon, Sep 18, 2017 at 2:42 PM, gangotri dey <holyriver6 at gmail.com>
>> wrote:
>>
>>> Dear all,
>>>
>>> I would like to transform my trajectory file n.trr or n.xtc to n.gro after
>>> my production run. I have used trjcat and trjconv to transform it using
>>> the
>>> index file. But in both the cases, it says "Can not write a gro file
>>> without atom names". How can I transform it please?
>>>
>>>
>>>
>>> *Thank you*
>>>
>>> *Gangotri *
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>>

-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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