[gmx-users] g_anaeig

[Mark Abraham]

> thanks for the help...
> sorry I made a mistake with flags -f -e in the mail

Right, well there's a lesson for you. Computers are literal, and so tend
to be the people who use them well. Copy-and-paste helps you to be
literal. Filtering things through your head tends to increase errors.

Mark

> On Tue, Mar 18, 2008 at 4:43 PM, Mark Abraham <Mark.Abraham at anu.edu.au>
> wrote:
>
>> SWAPNA wrote:
>> > Dear gmx users,
>> > I am using g_anaeig to filter my traj along the first eigenvector.
>> >
>> > 'g_anaeig -b 5000 -f 15000 -v eigenvec.trr -f calpha.tpr -s calpha.xtc
>> > -first 1 -last 1 -filt alongeigvec1 -dt 100'
>> > 5000ps to 15000ps has equilibriated trajectory. So I am using that to
>> > perform essential dynamics.
>> >
>> > When I do this it gives segmentation fault as below
>> > ------------
>> > Reading frame       0 time    0.000   Segmentation fault
>> > -----------------
>>
>> The -f flag doesn't accept a number.
>>
>> > When I give -b 0 -e 15000 it works without any problem.
>> > But it stops reading frames before the end time is 15000.
>> >
>> > -----------
>> > Reading frame   29000 time 14500.001
>> > ----------
>> >
>> > can I get filtered trajectory for -b 5000 -f 15000 ?
>>
>> No, but you might be able to get one for -b 5000 -e 15000.
>>
>> Use gmxcheck on the trajectory to see what it contains.
>>
>> Mark
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>
>
>
> --
> The logic of life lies exclusively neither in the most incredible detail,
> nor in the most sweeping synopsis.
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