Hi, Mark,
I'll adopt your suggestion.
Thank you for your reply again.
Sincerely yours,
Hsin-Lin
On 7/12/2010 6:01 PM, Hsin-Lin Chiang wrote:
>/
/>>/ Ah, sorry, I didn't read you well enough.
/>>/
/>>/ I've just seen that GROMACS 4.5 introduced trjconv -round to address
/>>/ this kind of iss
On 7/12/2010 6:01 PM, Hsin-Lin Chiang wrote:
Ah, sorry, I didn't read you well enough.
I've just seen that GROMACS 4.5 introduced trjconv -round to address
this kind of issue. I suppose you will find trjconv -round -split
works for you.
Mark
Hi, Mark
Thank you for your suggestion.
I'm so
Ah, sorry, I didn't read you well enough.
I've just seen that GROMACS 4.5 introduced trjconv -round to address this kind
of issue. I suppose you will find trjconv -round -split works for you.
Mark
Hi, Mark
Thank you for your suggestion.
I'm sorry that my version is 4.0.5
I think I can use -
On 12/07/10, Hsin-Lin Chiang wrote:
>
>
>
>
>
>
>
>
>
>
> Hi, Mark
>
>
>
> Thank you for your reply.
>
> I know -skip -sep is more robust.
>
> Since the definition talked about nr-th frame but not nr-th ps.
>
>
>
> -skip int 1 On
Hi, Mark
Thank you for your reply.
I know -skip -sep is more robust.
Since the definition talked about nr-th frame but not nr-th ps.
-skip int 1 Only write every nr-th frame
-[no]sep bool no Write each frame to a separate .gro, .g96
or .pdb file
The problem is that -s
On 12/07/10, Hsin-Lin Chiang wrote:
> Hi,
>
> My time unit is 1ps and today I have 300ns data generated by parallel
> simulation.
> I use trjconv -split 1000 on my trajectory but get the truncated end at t=
> 5000.0
> Theoretically it should stop at t= 1000.000
> I found that I don't ha
Hi,
My time unit is 1ps and today I have 300ns data generated by parallel
simulation.
I use trjconv -split 1000 on my trajectory but get the truncated end at
t= 5000.0
Theoretically it should stop at t= 1000.000
I found that I don't have t= 1000.0 frame but have t= 1000.6,
2000.0
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