[gmx-users] trjcat xtc files

[TJ Piggot]

You should use the -settime option, I think it should solve your problem.

Tom

--On Monday, November 02, 2009 00:21:31 -0800 Payman Pirzadeh 
<ppirzade at ucalgary.ca> wrote:

> Your second guess is correct! I used grompp to restart (I had thought it
> might provide me with the chance to change things if needed). I was
> surprised initially when "cat" command did not work! The number of frames
> were most of the time less than what it should be.
> I also checked the 'trjcat -h'. I did not specifically understand how I
> might be able to get over this issue. Any advices?
>
> Payman
>
> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
> On Behalf Of Mark Abraham
> Sent: Sunday, November 01, 2009 8:37 PM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] trjcat xtc files
>
> Paymon Pirzadeh wrote:
>> Sorry,
>> My command line was:
>>
>>  trjcat_d_mpi -f AFPI_Ih1010_54_58_Npt265_2.xtc
>> AFPI_Ih1010_54_58_Npt265_3.xtc AFPI_Ih1010_54_58_Npt265_4.xtc
>> AFPI_Ih1010_54_58_Npt265_5.xtc AFPI_Ih1010_54_58_Npt265_6.xtc -o
>> AFPI_Ih1010_54_58_Npt265_merged2-6.xtc
>>
>> the "_d_mpi" is the suffix used for double precision and parallel
>> version of the installed gromacs.
>
> OK so now we have some idea what you might be trying to do. The most
> likely causes are that the first few trajectories have no frames, or
> that each frame in the earlier trajectories is common to one in the last
> trajectory. This might happen if you were using grompp to do restarts,
> or have previously assigned duplicate times somehow. If so, find a
> better workflow in future. Consult trjcat -h for clues on how to get
> around this.
>
> Mark
>
>> Payman
>>
>> On Mon, 2009-11-02 at 15:08 +1100, Mark Abraham wrote:
>>> Paymon Pirzadeh wrote:
>>>> Hello,
>>>> I am trying to concatenate several xtc files. When I use the trjcat, it
>>>> only writes the last file into the output file! where the problem could
>>>> be?
>>> In your command line. Why didn't you tell us what it was? :-)
>>>
>>> Mark
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----------------------
TJ Piggot
t.piggot at bristol.ac.uk
University of Bristol, UK.