Hi Daniel,
I have launched a pucker calculation for my tetrasacharide with the
next script:
pucker p1 .12 .26 @24 @21 @15 @14 out pucker1.dat cremer amplitude
theta range360
pucker p2 .25 .37 .28 .39 .19 .20 out pucker2.dat cremer amplitude
theta range360
.
.
.
And I have obtained a table with a theta column information, but phi
column doesnt' appears...I would like obtain phi angles data. I probed
to change theta by phi in the script, but it don't work it. Are there
some way to calculate phi angles with cremer?
thanks in advance
Myriam
Daniel Roe <daniel.r.roe.gmail.com> escribió:
> Hi,
>
> There isn't enough information to even guess what might be happening.
> What do you mean by "doesn't work"? Is there a specific error message?
> Do the results not match what you expect? Also, what version of
> cpptraj are you using? In general, the more information you can
> provide, the more chance people have to figure out what might be going
> wrong.
>
> -Dan
>
> On Mon, Nov 23, 2020 at 7:27 AM MYRIAN TORRES RICO
> <myriam.torres.iiq.csic.es> wrote:
>>
>>
>> Hi all,
>>
>>
>> I want to calculate phi angle with puckering in Amber. I try this
>> adding phi in my script, but doesn't work it:
>>
>> pucker p1 .12 .26 .24 .21 .15 @14 out pucker1.dat cremer amplitude
>> phi range360
>>
>> any idea?
>>
>>
>> Thnks in advance,
>>
>>
>> Myriam
>>
>>
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>
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Received on Wed Nov 25 2020 - 08:30:02 PST
