Re: Error when using namdplot

From: Peter Freddolino (petefred_at_umich.edu)
Date: Sun Aug 30 2020 - 23:38:09 CDT

I am able to reproduce this error. However, I'd like to note that your log
file seems to be run with a namd 3.0 alpha, which may be way namdplot is
having trouble with it. I'll flag this to the attention of the appropriate
developers to make sure that NAMDplot will play nicely with the namd 3.0
output. In the meantime your best bet may be just to extract the ENERGY:
lines (eg using awk or something along those lines) and plot them using
other software.
Best,
Peter

On Sun, Aug 30, 2020 at 2:22 PM Kodituwakku,Dimuthu Nirmani <
dkodituwakku_at_ufl.edu> wrote:

> Peter,
>
> Sorry I misread your reply. Version of VMD is 1.9.3.
>
> Thank you,
>
> Best,
> Dimuthu
> ------------------------------
> *From:* Peter Freddolino <petefred_at_umich.edu>
> *Sent:* Sunday, August 30, 2020 12:55 PM
> *To:* <namd-l_at_ks.uiuc.edu> <namd-l_at_ks.uiuc.edu>; Kodituwakku,Dimuthu
> Nirmani <dkodituwakku_at_ufl.edu>
> *Subject:* Re: namd-l: Error when using namdplot
>
> *[External Email]*
> Sorry, as I originally asked, version of *VMD*, not version of NAMD. The
> error that you describe comes from VMD, so if anyone is going to try to
> reproduce it, we need a version number.
>
> On Sun, Aug 30, 2020 at 11:48 AM Kodituwakku,Dimuthu Nirmani <
> dkodituwakku_at_ufl.edu> wrote:
>
> Peter,
>
> Sorry about that. Version of NAMD is 2.1.3 and I have linked an example
> log file here.
>
> Best,
> Dimuthu
>
> prod9.log
> <https://urldefense.proofpoint.com/v2/url?u=https-3A__uflorida-2Dmy.sharepoint.com_-3Au-3A_g_personal_dkodituwakku-5Fufl-5Fedu_EeCNnrOlwd1PuFWeH-5FiSkPsB0EDKWf-5FTZ48uqSBFhmM8YQ-3Fe-3DTISlov&d=DwMFAg&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=jUfnSyKkfkyVRBIUzlG1GSGGZAZGcznwr8YliSSCjPc&m=AU6MB81edUb0AuvQWTlqXzGrrlyb0CYwMjXnrLMvC70&s=U0oMrm9aTucg-SyX07hvknlO2EpvFcUAVtjWJ12WHcI&e=>
> ------------------------------
> *From:* Kodituwakku,Dimuthu Nirmani <dkodituwakku_at_ufl.edu>
> *Sent:* Saturday, August 29, 2020 11:45 PM
> *To:* NAMD list <namd-l_at_ks.uiuc.edu>
> *Subject:* Re: namd-l: Error when using namdplot
>
> Peter,
>
> Sorry about that. Version of NAMD is 2.1.3 and I have attached an example
> log file here.
>
> Best,
> Dimuthu
> ------------------------------
> *From:* Peter Freddolino <petefred_at_umich.edu>
> *Sent:* Saturday, August 29, 2020 11:26 PM
> *To:* <namd-l_at_ks.uiuc.edu> <namd-l_at_ks.uiuc.edu>; Kodituwakku,Dimuthu
> Nirmani <dkodituwakku_at_ufl.edu>
> *Subject:* Re: namd-l: Error when using namdplot
>
> *[External Email]*
> Would definitely help to indicate the version of VMD that you're using,
> and to give an example log file that you're trying to parse.
> Best,
> Peter
>
> On Sat, Aug 29, 2020 at 8:15 PM Kodituwakku,Dimuthu Nirmani <
> dkodituwakku_at_ufl.edu> wrote:
>
> Hi all,
>
> I came across the following error when trying to use namdplot plug-in in
> VMD.
>
> can't read "memunit": no such variable
> can't read "memunit": no such variable
> while executing
> "switch -exact $memunit {
> kB { set memscale 1.0 }
> KB { set memscale 1.0 }
> MB { set memscale 1024.0 }
> GB { set memscale ..."
> (procedure "namdparse" line 24)
> invoked from within
> "namdparse $namdlogfilename"
> (procedure "::NAMDPlot::namdplot" line 9)
> invoked from within
> "::NAMDPlot::namdplot $logfile"
> (procedure "::NAMDPlot::guiplot" line 64)
> invoked from within
> "::NAMDPlot::guiplot"
> invoked from within
> ".namdplot.menubar.file.menu invoke active"
> ("uplevel" body line 1)
> invoked from within
> "uplevel #0 [list $w invoke active]"
> (procedure "tk::MenuInvoke" line 50)
> invoked from within
> "tk::MenuInvoke .namdplot.menubar.file.menu 1"
> (command bound to event)
>
> Thanks alot !
>
>
>

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