[gmx-users] Inaccurate time frame

Mark Abraham Mark.Abraham at anu.edu.au
Tue Dec 7 09:51:09 CET 2010


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 sorry that my version is 4.0.5
> I think I can use -sep and write a shell script to combine frames 
> together.

That, or make a local installation of 4.5.3 and just use trjconv from 
it. There's no issue with trajectory compatibility of which I am aware.

Mark



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