OK,
as I said the problem is in cpptraj IMAGE routine, the radgyr/drms
"failure" is just
the consequence ...
Best wishes,
Marek
Dne Wed, 15 Aug 2012 19:49:18 +0200 Daniel Roe <daniel.r.roe.gmail.com>
napsal/-a:
> Hi,
>
> On Wed, Aug 15, 2012 at 4:11 AM, Marek Maly <marek.maly.ujep.cz> wrote:
>> Yes I know the difference but with DRMSD I had problem in case of PTRAJ
>>
>> ---------------------------------------------------------------------
>> PTRAJ: drmsd :CEN,REC,REP,REE,ENP,EN0 first out DEN_RST.RMSD.RMSD
>>
>> WARNING in dispatchToken: Token string "drmsd" not found in tokenlist
>
> Oh, I didn't understand you initially, sorry. The issue here is that
> drmsd is in cpptraj only.
>
> I have received the test case (thanks!); I'll check it out and get
> back to you shortly.
>
> -Dan
>
--
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Received on Wed Aug 15 2012 - 11:30:04 PDT
