Vijay, a hack for this is at
http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12_2.zip
It is not guaranteed, because it works under the premise that the previous
good atom number is the same atom type. If you can't get Molden fixed, let
me know, and I will put more energy into making this correct.
On Fri, Apr 6, 2012 at 7:07 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> Bad news -- it's a Molden problem:
>
> 11 0
> s 3 1.00
> 0.3425250900D+01 0.1543289707D+00
> 0.6239137300D+00 0.5353281424D+00
> 0.1688554000D+00 0.4446345420D+00
>
> ** 0
> s 3 1.00
> 0.3425250900D+01 0.1543289707D+00
> 0.6239137300D+00 0.5353281424D+00
> 0.1688554000D+00 0.4446345420D+00
>
>
>
> That ** there seems to imply the Molden has a maximum of 99 atoms it can
> handle. I'm afraid there's really no way around this. You need to fix
> Molden. Any chance you are using an old version? Is Molden being
> maintained?
>
> I think I can hack it, but it won't be a general hack. You will have to
> make certain that all unique atoms are within the first 99 atoms. So, for
> example, you will have to make sure that you don't make the first Pd atom
> #100.
>
>
> On Fri, Apr 6, 2012 at 5:21 AM, Vijay Gopal Chilkuri <
> vijay.gopa...@gmail.com> wrote:
>
>> Hi,
>>
>> I have problems with the display of orbitals of large molecules in molden
>> format.
>>
>> I am using version 12.2.19.
>> It seems that the molden for similar but smaller molecules are displayed
>> perfectly but when the file contains a large number of electrons or
>> calculations with a large basis set they fail.
>>
>> I have tried to execute jmol with the option 'java -Xmx2048m -jar
>> ./jmol.jar'
>> but without success.
>>
>> I am uploading a link to a test file which I'm having problems with.
>> http://dl.dropbox.com/u/22156932/test.molden.tar.gz
>>
>> thanks,
>> Vijay
>>
>> --
>> Master Erasmus Mundus
>> Theoretical Chemistry and Computatinal Modeling
>> Université Paul Sabatier, Toulouse France
>>
>>
>>
>>
>> ------------------------------------------------------------------------------
>> For Developers, A Lot Can Happen In A Second.
>> Boundary is the first to Know...and Tell You.
>> Monitor Your Applications in Ultra-Fine Resolution. Try it FREE!
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>>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
For Developers, A Lot Can Happen In A Second.
Boundary is the first to Know...and Tell You.
Monitor Your Applications in Ultra-Fine Resolution. Try it FREE!
http://p.sf.net/sfu/Boundary-d2dvs2
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