Dear Dr. Cheatham,
Can I know if I specify
trajout traj.mdcrd 1 999999 4
will that make any difference.
Thanks
John
On Tue, Oct 26, 2010 at 10:43 AM, John S <s.john634.gmail.com> wrote:
> Yes it is to convert from 0.25 ps per frame to 1 ps per frame .
>
>
> Thanks
> John
>
>
> On Tue, Oct 26, 2010 at 10:26 AM, Thomas Cheatham <tec3.utah.edu> wrote:
>
>>
>> > I have a 0.25 ps per frame trajectory .I want to convert it into a 0.1
>> ps
>> > per frame trajectory, is there any way of doing it .
>>
>> Definately not; but you could go from 0.25 ps -> 1.0 ps...
>>
>> > I used to ptraj to dump out every fourth frame ; still it is a 0.25 ps
>> per
>> > frame trajectory .
>>
>> trajout traj.mdcrd 4 999999 4
>>
>> Note that no "time" information is stored in the trajectory file so
>> interpreting the spacing between frames is up to you...
>>
>> --tec3
>>
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>
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Received on Tue Oct 26 2010 - 09:30:05 PDT
