[gmx-users] conversion of a trajectory from .trr to .gro
holyriver6 at gmail.com
Mon Sep 18 22:18:08 CEST 2017
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.
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.
> 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>
>> 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
>> 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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