VMD-L Mailing List

From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Mon Mar 18 2013 - 09:21:58 CDT

Valeria,

I have a couple of log files generated using G09RevB.01, but I'm unable to reproduce this error. Could you email me your problematic log file for testing?

Regards,
Christopher Mayne

On Mar 18, 2013, at 3:32 AM, <valeria.losasso_at_stfc.ac.uk>
 wrote:

> Hi Chris,
> This is the information:
>
> ******************************************
> Gaussian 09: EM64L-G09RevB.01 12-Aug-2010
> 14-Mar-2013
> ******************************************
>
> Best,
> Valeria
>
>
>
>
> -----Original Message-----
> From: Mayne, Christopher G [mailto:cmayne2_at_illinois.edu]
> Sent: 15 March 2013 12:47
> To: Losasso, Valeria (STFC,DL,SC)
> Cc: <vmd-l_at_ks.uiuc.edu>; <johns_at_ks.uiuc.edu>
> Subject: Re: vmd-l: vmd1.9.2 alpha on windows/Mac
>
> Valeria,
>
> What revision of G09 are you using? In your log file just below the citation it should read something analogous to:
>
> ******************************************
> Gaussian 09: AM64L-G09RevA.01 8-May-2009
> 12-Nov-2012
> ******************************************
>
> which is the information I need.
>
>
> Regards,
> Chris
>
>
>
> On Mar 15, 2013, at 5:11 AM, <valeria.losasso_at_stfc.ac.uk>
> wrote:
>
>> Hi,
>> I downloaded the latest build for Mac (1.9.2a20, 13/3/2013) and was able to go through the "geometry optimization" steps reading both Gaussian 03 and 09 outputs, but I have problems in reading both file types at the next "water interaction" step, exactly as Yi Wang here
>>
>> http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/19785.html
>>
>> (I mean I get the same error type, both with Gaussian 03 and 09)
>>
>> Cheers
>> Valeria
>>
>> -----Original Message-----
>> From: John Stone [mailto:johns_at_ks.uiuc.edu]
>> Sent: 14 February 2013 16:33
>> To: Losasso, Valeria (STFC,DL,SC)
>> Cc: vmd-l_at_ks.uiuc.edu
>> Subject: Re: vmd-l: vmd1.9.2 alpha on windows/Mac
>>
>> Hi,
>> I am in the process of doing fresh builds. Once I've tested them adequately they will get posted on BioCoRE in the place you looked at already. The last test builds I made had a problem that needed to be fixed so that's why the directory is largely empty at the moment. I expect to have some new test builds posted in a day or two.
>>
>> Cheers,
>> John Stone
>> vmd_at_ks.uiuc.edu
>>
>>
>> On Tue, Feb 12, 2013 at 04:42:01PM +0000, valeria.losasso_at_stfc.ac.uk wrote:
>>> Hi,
>>>
>>> I have the same problem as Carolina here
>>>
>>>
>>>
>>> http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/20919.html
>>>
>>>
>>>
>>> and I would need to get the 1.9.2 alpha version for windows or mac in
>>> order to use the new FFTK and generate the two Gaussian input files
>>> wat-sp.gau and molecule-sp.gau.
>>>
>>>
>>>
>>> I followed the procedure indicated by John Stone i.e. I registered to
>>> Biocore and got to the correct folder but I can only see the linux version
>>> vmd-1.9.2a16.bin.LINUXAMD64.text.tar.gz, while in the linked thread I can
>>> read that there are also versions available for the other operating
>>> systems. Where could I find them?
>>>
>>>
>>>
>>> Thanks and best regards
>>>
>>> Valeria
>>>
>>>
>>>
>>>
>>>
>>> --
>>> Scanned by iCritical.
>>
>> --
>> 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/ Fax: 217-244-6078
>> --
>> Scanned by iCritical.
>>
>
> --
> Scanned by iCritical.