VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Oct 03 2012 - 13:57:11 CDT
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Hi,
Yes, it appears that you did install the "text" version. You don't
want to use that version, you should delete that one and install the
graphical version ("opengl") instead. I have just posted a fresh
set of VMD builds. You should download and install this one specifically:
vmd-1.9.2a14.bin.LINUXAMD64.opengl.tar.gz
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Wed, Oct 03, 2012 at 01:42:14PM -0300, Carolina Penhavel de souza wrote:
> Hi John!
>
> Really, I download and installed the "text" version. I type "vmd" on
> terminal e, after, I run the command "vmdinfo options" and it send me
>
> "LINUXAMD64 ACTC IMD LIBTACHYON NETCDF TCL PTHREADS SILENT".
> Do you know why the "main VMD" and "Display graphics" windows aren't
> opening?
>
> Thank you,
>
> Carolina.
>
> Carolina Penhavel de Souza
> Mestranda em Biofisica Molecular
> UNESP - Sao Jose do Rio Preto
>
> > Date: Wed, 3 Oct 2012 11:20:40 -0500
> > From: johns_at_ks.uiuc.edu
> > To: carolpenhavel_at_hotmail.com
> > CC: him.upadhyay_at_my.ndsu.edu; vmd-l_at_ks.uiuc.edu
> > Subject: Re: vmd-l: question about fftk
> >
> >
> > Hi,
> > Did you install the "text" version? I posted a special "text-only"
> version
> > of VMD for one of the other VMD users that requested it. If you grabbed
> > that version, that will explain your problem. Try running this command
> inside
> > the VMD that you installed:
> > vmdinfo options
> >
> > And let me know what it says.
> >
> > Cheers,
> > John Stone
> > vmd_at_ks.uiuc.edu
> >
> > On Wed, Oct 03, 2012 at 11:19:55AM -0300, Carolina Penhavel de souza
> wrote:
> > > I installed the version 1.9.2 alpha, but it's not working . When I
> type
> > > "vmd" on terminal, it seems vmd open, but the "vmd main" and "open
> > > display" windows don't open. Someone knows what is the reason?
> > >
> > > Carolina Penhavel de Souza
> > > Mestranda em Biofisica Molecular
> > > UNESP - Sao Jose do Rio Preto
> > >
> > > ----------------------------------------------------------------------
> > >
> > > From: him.upadhyay_at_my.ndsu.edu
> > > To: carolpenhavel_at_hotmail.com
> > > CC: vmd-l_at_ks.uiuc.edu
> > > Subject: RE: vmd-l: question about fftk
> > > Date: Tue, 2 Oct 2012 19:55:30 +0000
> > >
> > > Hi Carolina,
> > > log into BioCoRE online. In the menu on the left, select "BioFS Shared
> > > Filesystem". Find the folder named "alpha". This folder contains VMD
> > > 1.9.2 for mac, linux, solaris, win32cuda and win32nocuda files. Pick
> up
> > > whatever you need.
> > >
> > > ----------------------------------------------------------------------
> > >
> > > Him Upadhyay
> > >
> > > ----------------------------------------------------------------------
> > >
> > > From: Carolina Penhavel de souza [carolpenhavel_at_hotmail.com]
> > > Sent: Tuesday, October 02, 2012 2:42 PM
> > > To: Him Bandhu Upadhyay
> > > Subject: RE: vmd-l: question about fftk
> > > Hi HIm.
> > >
> > > I'm not found the version 1.9.2 alpha from BioCore. Can you send me
> the
> > > link??
> > >
> > > Thanks,
> > >
> > > Carolina.
> > >
> > > Carolina Penhavel de Souza
> > > Mestranda em Biofisica Molecular
> > > UNESP - Sao Jose do Rio Preto
> > >
> > > ----------------------------------------------------------------------
> > >
> > > From: him.upadhyay_at_my.ndsu.edu
> > > To: carolpenhavel_at_hotmail.com
> > > CC: vmd-l_at_ks.uiuc.edu; ehsanzahedinejad_at_gmail.com
> > > Subject: RE: vmd-l: question about fftk
> > > Date: Tue, 2 Oct 2012 19:16:53 +0000
> > >
> > > Hi Carolina,
> > > I also had the same problem. I think the problem is when you are
> > > generating water interaction gaussian input files, VMD only creates
> > > acceptor and donor input files but do not create *-sp.gau file for
> > > molecule and water. If this is the case then you are using a old
> version
> > > of ffTK. I suggest that you grab a copy of the latest 1.9.2.alpha
> builds
> > > from BioCoRE.
> > >
> > > I hope this helps you
> > >
> > > ----------------------------------------------------------------------
> > >
> > > Him Upadhyay
> > >
> > > ----------------------------------------------------------------------
> > >
> > > From: owner-vmd-l_at_ks.uiuc.edu [owner-vmd-l_at_ks.uiuc.edu] on behalf of
> ehsan
> > > zahedinejad [ehsanzahedinejad_at_gmail.com]
> > > Sent: Tuesday, October 02, 2012 11:05 AM
> > > To: Carolina Penhavel de souza
> > > Cc: vmd-l_at_ks.uiuc.edu
> > > Subject: Re: vmd-l: question about fftk
> > > Hi Carolina,
> > > When you generate Gaussian input files in "Water Int." of fftk, In
> > > addition to those files for Donor-Accepter files it also
> > > generate two input files named "wat-sp.gau" and "your
> molecule-sp.gau".
> > > You should run these two files by Gaussian
> > > and use their output log files in Opt.Charge section.
> > > I hope this helps.
> > > Ehsan.
> > > On Tue, Oct 2, 2012 at 6:26 AM, Carolina Penhavel de souza
> > > <carolpenhavel_at_hotmail.com> wrote:
> > >
> > > Hi.
> > >
> > > I'm modeling an molecule in fftk and I don't have the files
> > > water-sp.log and molecule-sp.log, required in the "Opt.Charges >
> > > Input/Settings > QM Target Data" step. I try to generate this files in
> > > the Paratool, where I get the files water_sp.com and molecule-sp.com,
> > > and after I run this files on gaussian. However, when I insert this
> > > files in fftk, I get this error:
> > >
> > > measure bond: must specify exactly two atoms in a list
> > > while executing
> > > "measure bond "[$temp1 get index] [$temp2 get index]" frame $i"
> > > (procedure "::ForceFieldToolKit::ChargeOpt::optimize" line 154)
> > > invoked from within
> > > "::ForceFieldToolKit::ChargeOpt::optimize"
> > > (procedure "::ForceFieldToolKit::gui::coptRunOpt" line 55)
> > > invoked from within
> > > "::ForceFieldToolKit::gui::coptRunOpt "
> > > invoked from within
> > > ".fftk_gui.hlf.nb.chargeopt.runOpt invoke "
> > > invoked from within
> > > ".fftk_gui.hlf.nb.chargeopt.runOpt instate {pressed !disabled} {
> > > .fftk_gui.hlf.nb.chargeopt.runOpt state !pressed;
> > > .fftk_gui.hlf.nb.chargeopt.runOpt in..."
> > > (command bound to event)
> > >
> > > On the tkConsole, the last lines are:
> > >
> > > .
> > > .
> > > .
> > > 10: SCF = -570.039963 hart = -357466.505972 kcal/mol; rel = -1.2951
> > > kcal/mol
> > > 11: SCF = -570.039963 hart = -357466.506028 kcal/mol; rel = -1.2951
> > > kcal/mol
> > > Optimization completed. -- Stationary point found.
> > > Optimization completed. -- Stationary point found.
> > > No mulliken charges found.
> > > Optimization completed. -- Stationary point found.
> > > Optimization completed. -- Stationary point found.
> > > No mulliken charges found.
> > >
> > > How can I to proceed? This problem can be the _sp.log file? If so, how
> > > can I to obtain this files?
> > >
> > > Carolina Penhavel de Souza
> > > Mestranda em Biofisica Molecular
> > > UNESP - Sao Jose do Rio Preto
> >
> > --
> > 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
-- 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
- Next message: Marcos Ackel: "Fw: VMD compile on windows (where is windows.h?)"
- Previous message: John Stone: "Re: question about fftk"
- Maybe in reply to: ehsan zahedinejad: "Re: question about fftk"
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