[gmx-users] trjcat
rams rams
rams.crux at gmail.com
Tue Oct 7 19:26:20 CEST 2008
Dear Justin and Xavier,
Thanks for the suggestions.
Ram.
On Tue, Oct 7, 2008 at 11:45 AM, Xavier Periole <X.Periole at rug.nl> wrote:
> On Tue, 7 Oct 2008 11:39:45 -0400
> "rams rams" <rams.crux at gmail.com> wrote:
>
>> Dear Users,
>>
>> I tried to create a trajectory file from a set of pdb files (infact
>> several
>> of them) starting from time frame 0 to lets say 100 with an interval of
>> 1ps
>> each. If I use the following command,
>>
>> trjconv -f 0.xtc 1.xtc ......100.xtc -o .xtc
>>
>> its resuling only one frame (I think its not stiching them).
>>
>> If I use "-settime" along with the above command, it is stiching all the
>> frames, but its asking for the start time for each frame. Its really
>> difficult to mention the start times for several hundred frames. Is there
>> any way we can handle this.
>>
> generate a file let say toto containing:
> 1
> 2
> 3
> 4
> 5
> 6
> ...
> 100
>
> and then run trjcat -f ... -settime < toto
>
>>
>> Thanks.
>> Ram.
>>
>
> -----------------------------------------------------
> XAvier Periole - PhD
>
> - Molecular Dynamics Group -
> NMR and Computation
> University of Groningen
> The Netherlands
>
> -----------------------------------------------------
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