VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Jan 23 2012 - 11:55:22 CST

On Mon, Jan 23, 2012 at 12:35 PM, jeela keel <jeela22_at_gmail.com> wrote:
> Hi All,
>
> I used a different dcd file that has less frames (only 263). This time it
> gave same error but in the frame 262 before the last one.
>  is it possible that my sections are causing the problem since the measure
> command is using the selections? I am selecting the protein and the
> water surrounding the protein.
>
> ERROR) measure gofr: bad frame range given. max. allowed frame#: 262

a-ha! yes. if you have 263 frames, the last frame is frame number 262.
the frame numbers start from 0. if you want to use an explicit number of
frames, then you have to subtract 1 from the total number of frames to
get the last frame number.

axel.

>
> Thank you
>
> Jeela
>
>
>
> On Mon, Jan 23, 2012 at 12:18 PM, jeela keel <jeela22_at_gmail.com> wrote:
>>
>> yes I am doing similar way to get the number of frames.
>>
>> jeela
>>
>>
>> On Mon, Jan 23, 2012 at 11:01 AM, John Stone <johns_at_ks.uiuc.edu> wrote:
>>>
>>>
>>> Are you correctly querying the number of frames with something like:
>>>  set number_frame [molinfo top get numframes]
>>>
>>> Cheers,
>>>  John Stone
>>>  vmd_at_ks.uiuc.edu
>>>
>>> On Mon, Jan 23, 2012 at 10:56:43AM -0500, jeela keel wrote:
>>> >    On Mon, Jan 23, 2012 at 10:29 AM, Axel Kohlmeyer
>>> > <akohlmey_at_gmail.com>
>>> >    wrote:
>>> >
>>> >      isn't the error message is self-explanatory?
>>> >      your argument to the "last" flag is obviously incorrect.
>>> >
>>> >      axel.
>>> >      >
>>> >      Hi Axel
>>> >
>>> >        set gr1 [measure gofr $sel1 $sel2 delta .1 rmax 10.0 usepbc
>>> >    1  selupdate 1 first 1 last $number_frame step 1]
>>> >
>>> >       Thank you for your suggestion, I am using the last number for the
>>> >    frames which is 1000   frames but it stops in frame 500 and give me
>>> > the
>>> >    error
>>> >    jeela
>>> >
>>> >      --
>>> >      Dr. Axel Kohlmeyer
>>> >      akohlmey_at_gmail.com  http://goo.gl/1wk0
>>> >
>>> >      College of Science and Technology
>>> >      Temple University, Philadelphia PA, USA.
>>>
>>> --
>>> NIH Resource for Macromolecular Modeling and Bioinformatics
>>> Beckman Institute for Advanced Science and Technology
>>> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
>>> http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
>>> http://www.ks.uiuc.edu/Research/vmd/       Fax: 217-244-6078
>>
>>
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.