Re: Get NAMD version from the tcl script interface

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Wed May 09 2018 - 10:43:11 CDT

Hehe, yes, it's not a valid option, but if I called only `namd` then it
would sleep for 10 seconds.
On an invalid option NAMD exits immediately.

Best,
Ajasja

On Wed, 9 May 2018 at 17:38, Brian Radak <brian.radak_at_gmail.com> wrote:

> I don't know of any such option "--version" for NAMD, although it's true
> you can extract the version from a run by using grep, etc.
>
> On Wed, May 9, 2018 at 11:06 AM, Ajasja Ljubetič <
> ajasja.ljubetic_at_gmail.com> wrote:
>
>> Hi,
>>
>> since you have the full power of TCL, I guess you could hack it by saving
>> the output of the command
>>
>> `namd --version | grep Info: | head -1 | cut -d ' ' -f 3`
>>
>> to a tcl variable. I guess exec
>> <https://www.tcl.tk/man/tcl8.5/tutorial/Tcl26.html> could be used. Or
>> maybe save the namd version to a shell variable before running namd and
>> retrieving it in the script.
>>
>> Best,
>> Ajasja
>>
>> On Wed, 9 May 2018 at 16:38, Brian Radak <brian.radak_at_gmail.com> wrote:
>>
>>> Actually I think this feature is still awaiting final comment. It might
>>> be available in the nightly build in a few weeks, but, as you said, only
>>> for the 2.12 development version or even just the 2.13 release.
>>>
>>> On Wed, May 9, 2018 at 7:50 AM, Giacomo Fiorin <giacomo.fiorin_at_gmail.com
>>> > wrote:
>>>
>>>> You cannot for versions up to 2.12, but the feature has just been added.
>>>>
>>>> Giacomo
>>>>
>>>> On Wed, May 9, 2018 at 4:36 AM, yjcoshc <yjcoshc_at_gmail.com> wrote:
>>>>
>>>>> Hello,
>>>>>
>>>>> I am trying to append the NAMD version string to the output file
>>>>> names. In the NAMD configuration file if I use:
>>>>>
>>>>> outputName output/dihedral_$namd_version
>>>>>
>>>>> how can I get the NAMD version from the tcl interface and store it
>>>>> into the namd_version variable?
>>>>>
>>>>> Thanks,
>>>>>
>>>>> Haochuan Chen
>>>>>
>>>>>
>>>>
>>>>
>>>> --
>>>> Giacomo Fiorin
>>>> Associate Professor of Research, Temple University, Philadelphia, PA
>>>> Contractor, National Institutes of Health, Bethesda, MD
>>>> http://goo.gl/Q3TBQU
>>>> https://github.com/giacomofiorin
>>>>
>>>
>>>
>

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