From: Jeeno Jose (josejeeno_at_gmail.com)
Date: Wed May 13 2015 - 09:04:07 CDT

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/
>>
>
>