[gmx-users] problem in making a trajectory

[francesca vitalini]

yes and I do.
By the way the version of GROMACS I'm using is the 3.3.1, I forgot to
specify that before.


2012/6/16 Justin A. Lemkul <jalemkul at vt.edu>

>
>
> On 6/16/12 7:41 AM, francesca vitalini wrote:
>
>> Dear Justin,
>>
>> this is my trjcat command
>>
>>  /home/cocktail/vitalini/**gromacs_special/bin/trjcat -f
>> /home/cocktail2/vitalini/**reverse_transformation_vacuum/**
>> 300-65-100/300-65-100_**annealing.gro
>> /home/cocktail2/vitalini/**reverse_transformation_vacuum/**
>> 300-65-100/300-65-100_**annealing2.gro
>> /home/cocktail2/vitalini/**reverse_transformation_vacuum/**
>> 300-65-100/300-65-100_min.gro
>> /home/cocktail2/vitalini/**reverse_transformation_vacuum/**
>> 300-65-100/300-65-100_min1.gro
>> -o
>> /home/cocktail2/vitalini/**reverse_transformation_vacuum/**
>> 300-65-100/300-65-100_traj_**tot.xtc
>> -settime -cat
>>
>> I'm using the settime command to have each structure at a different time
>> step.
>> If I was using it wrongly please correct me.
>>
>>
> You should be prompted to then set a time value for each frame, is that
> not the case?
>
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
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-- 
Francesca Vitalini

PhD student at Computational Molecular Biology Group,
Department of Mathematics and Informatics, FU-Berlin
Arnimallee 6 14195 Berlin

vitalini at zedat.fu-berlin.de
francesca.vitalini at fu-berlin.de

+49 3083875776
+49 3083875412
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