VMD-L Mailing List

From: Him Bandhu Upadhyay (him.upadhyay_at_my.ndsu.edu)
Date: Fri Aug 24 2012 - 15:41:13 CDT

Thank you Chris for the clarification of my problem. I want to add more about my problem. I am using VMD 1.9.1 version for window 7. When I generate all of the water interaction Gaussian input files, it only generates the acceptor/donors indices gaussian input files ) and ffTK do not generates a single point energy file for both the molecule and water which are denoted by *-sp.gau.

Thanks
________________________________
Him Upadhyay

________________________________________
From: Mayne, Christopher G [cmayne2_at_illinois.edu]
Sent: Friday, August 24, 2012 8:52 AM
To: John Stone
Cc: Chris Harrison; Him Bandhu Upadhyay; vmd-l
Subject: Re: vmd-l: Regarding the latest VMD 1.9.2.alpha builds from BioCoRE

Just to be clear, he wants a recent FFTK (or ffTK) version, not to be confused with FLTK. I think he's currently trying to use the initial ffTK release that shipped with VMD 1.9.1, which has some bugs.

Chris (Mayne)

On Aug 23, 2012, at 10:42 PM, John Stone wrote:

>
> Hi,
> I will likely have fresh Windows builds sometime next week. There is no
> point in trying the a7 build because it doesn't have the latest FFTK
> package in it. I'll send a note when I get a new Windows test version
> posted.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Thu, Aug 23, 2012 at 10:34:20PM -0500, Chris Harrison wrote:
>> Unfortunately, the Windows version isn't routinely built as often as
>> the other architectures.
>>
>> If you look in the "alpha/old" folder there is an older
>> vmd192a7win32cuda.msi and vmd192a7win32nocuda.msi that might work for
>> you.
>>
>> Chris
>>
>>
>>
>> On Thu, Aug 23, 2012 at 10:30 PM, Him Bandhu Upadhyay
>> <him.upadhyay_at_my.ndsu.edu> wrote:
>>> Thank you Chris,
>>> I got the folder containing "alpha" but there is not any Windows built tar files. Those files are only for linux, solaris, and mac built. I just need for window built version. If you have any idea to get it then please let me know.
>>>
>>> Thanks
>>> ________________________________
>>> Him Upadhyay
>>>
>>>
>>> ________________________________________
>>> From: Chris Harrison [charris5_at_gmail.com]
>>> Sent: Thursday, August 23, 2012 10:00 PM
>>> To: Him Bandhu Upadhyay
>>> Cc: vmd-l_at_ks.uiuc.edu
>>> Subject: Re: vmd-l: Regarding the latest VMD 1.9.2.alpha builds from BioCoRE
>>>
>>> Did you join the VMD Project, switch to the VMD Project in the upper
>>> right hand corner drop-down, then look in BioFS?
>>>
>>> Chris
>>>
>>>
>>>
>>> On Thu, Aug 23, 2012 at 9:01 PM, Him Bandhu Upadhyay
>>> <him.upadhyay_at_my.ndsu.edu> wrote:
>>>> hello,
>>>> Chris suggested me to get the latest VMD 1.9.2.alpha builds from "alpha"
>>>> folder in "BioFS Shared Filesystem". I logged in to BioCoRE but can not see
>>>> the folder named "alpha" in "BioFS Shared Filesystem". Anyone can help me
>>>> how to get latest VMD 1.9.2.alpha builds from BioCoRE ?
>>>>
>>>> Thanks
>>>>
>>>> Regards
>>>>
>>>> ________________________________
>>>> Him Upadhyay
>>>>
>>>
>>>
>>>
>>> --
>>> Chris Harrison, Ph.D.
>>> NIH Center for Macromolecular Modeling and Bioinformatics
>>> Theoretical and Computational Biophysics Group
>>> Beckman Institute for Advanced Science and Technology
>>> University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
>>>
>>> http://www.ks.uiuc.edu/Research/namd Voice: 773-570-6078
>>> http://www.ks.uiuc.edu/~char Fax: 217-244-6078
>>>
>>>
>>
>>
>>
>> --
>> Chris Harrison, Ph.D.
>> NIH Center for Macromolecular Modeling and Bioinformatics
>> Theoretical and Computational Biophysics Group
>> Beckman Institute for Advanced Science and Technology
>> University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
>>
>> http://www.ks.uiuc.edu/Research/namd Voice: 773-570-6078
>> http://www.ks.uiuc.edu/~char Fax: 217-244-6078
>
> --
> 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