From: Jeeno Jose (josejeeno_at_gmail.com)
Date: Wed May 13 2015 - 12:18:50 CDT

Thank you very much
On 13 May 2015 20:22, "Maxim Belkin" <mbelkin_at_ks.uiuc.edu> wrote:

> Hi,
>
> Atom 1146 has residue id 10 and "1" is in column 14, however the first
> allowed position is 15. So change your matlab script so that residue id
> starts in column 15.
>
> Maxim
>
> On May 13, 2015, at 9:04 AM, Jeeno Jose <josejeeno_at_gmail.com> wrote:
>
> The PSF file not taken in 1.9.2, has been accepted in 1.9.1 !!!
>
> On Wed, May 13, 2015 at 1:42 PM, Jeeno Jose <josejeeno_at_gmail.com> wrote:
>
>> I generated using MATLAB file operations.
>>
>> Formatting may not be the issue since the entries for atoms preceding,
>> say 1143, has the same size as that of 1145. Here is the relevant portion
>> from the PSF:
>>
>>
>> 1142 9 ABC C2 C2 0.000000 12.0107 0
>> 1143 9 ABC C3 C3 0.000000 13.0186 0
>> 1144 9 ABC C7 C7 0.000000 15.0344 0
>> 1145 9 ABC C5 C5 0.000000 15.0344 0
>> 1146 10 ABC C6 C6 0.000000 15.0344 0
>> 1147 10 ABC C2 C2 0.000000 12.0107 0
>>
>>
>> Thank you
>>
>> Jeeno Jose
>>
>> On Wed, May 13, 2015 at 12:19 PM, John Stone <johns_at_ks.uiuc.edu> wrote:
>>
>>> Hi,
>>> The number of atoms is not likely to be a problem, more likely there
>>> is some kind of formatting issue with your PSF file. How did you
>>> generate it?
>>>
>>> Cheers,
>>> John Stone
>>> vmd_at_ks.uiuc.edu
>>>
>>> On Wed, May 13, 2015 at 12:08:25PM +0530, Jeeno Jose wrote:
>>> > Dear all
>>> >
>>> > While I was loading my PSF file which contains 1200 atoms, I got the
>>> > following messages:
>>> >
>>> >
>>> >
>>> >
>>> >
>>> >
>>> >
>>> >
>>> > *psfplugin) Failed to parse segname in PSF file:psfplugin) ' 1146
>>> > 10 ABC C6 C6 0.000000 15.0344 0'couldn't read atom
>>> > 1145ERROR) molecule_structure: Unable to read structure for molecule
>>> > 1ERROR) molecule_structure: severe error indicated by plugin aborting
>>> > loading ofmolecule 1*
>>> >
>>> > Whereas, when I tried to load a smaller domain which contains only 960
>>> > atoms (everything same w.r.t to the domain of 1200 atoms, just differs
>>> in
>>> > total number of atoms), it loaded. Is there any limit of 1144 atoms in
>>> VMD?
>>> > I used to do load 1200 atoms in my previous installations of VMD 1.9.2.
>>> >
>>> > Is there any setting which I should change to resolve this?
>>> >
>>> > Thank you
>>> > Jeeno Jose
>>>
>>>
>>> --
>>> NIH Center 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/
>>>
>>
>>
>
>