Hi,
There was a minor bug in cpptraj that was fixed very recently having
to do with TRR files. I recommend upgrading to cpptraj from AmberTools
17 (
http://ambermd.org/AmberTools17-get.html) or downloading from
GitHub (
https://github.com/Amber-MD/cpptraj) and try your conversion
again. In fact, cpptraj now supports writing to directly to XTC so you
could try that as well.
Hope this helps,
-Dan
On Mon, Jun 26, 2017 at 1:06 AM, Saikat Pal <saikatpaliitg.yahoo.com> wrote:
> Thank you, sir, for your kind response I am using AMBER14 .
>
>
> On Saturday, 24 June 2017 5:27 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
>
> What version of cpptraj are you using?
>
> -Dan
>
> On Sat, Jun 24, 2017 at 7:55 AM Saikat Pal <saikatpaliitg.yahoo.com> wrote:
>
>> Dear all,
>> Using cpptraj I have converted .mdcrd to .trr gromacs trajectory .But for
>> conversion .trr to .xtc file gromacs shows error. I have used this command :
>> trjconv -s output1.pdb -f gromacs.trr -o md_0_1.xtc -pbc whole -ur compact
>> it shows this error:WARNING no output, last frame read at t=0
>> IS that amber amber or gromacs problem ??
>>
>> Thanks and regards,
>>
>> Saikat
>> _______________________________________________
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>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
> _______________________________________________
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>
>
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Mon Jun 26 2017 - 06:00:04 PDT
