Hello,
On 06/24/2017 01:57 PM, Daniel Roe 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 ??
Doing a PBC correction with Gromacs, you need a tpr file for it, a pdb
file is not enough.
I would suggest you do the PBC correction with Amber (autoimage).
All the best,
Qinghua
>>
>> Thanks and regards,
>>
>> Saikat
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
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Received on Sat Jun 24 2017 - 05:30:03 PDT
