From: Arturas Ziemys (ziemys_at_chbmeng.ohio-state.edu)
Date: Thu Sep 28 2006 - 08:10:19 CDT
Do you have any idea how to invoke those comands ? : just type directly 'centerOfNumber' in *.namd file, o use like
ser var [measure centerOfNumber] ?
>From: Jerome Henin [mailto:jhenin_at_vitae.cmm.upenn.edu]
>Sent: Thursday, September 28, 2006 12:30 AM
>To: 'Arturas Ziemys'
>Subject: Re: namd-l: "measure" command
>Well, when the doc gets as terse as this:
>"A number of measure commands are included in the NAMD binary"
>then the only real doc is the source code.
>In that file:
>the following routines are defined: centerOfNumber, centerOfMass,
>radiusOfGyration, and loadCoords.
>On Wednesday 27 September 2006 17:30, Arturas Ziemys wrote:
>> Is there any more turotial/documentation/examples on the "measure" command
>> in NAMD ?
>> I want to use it to update some parameters for my system, e.g. cell
>> dimensions, on the fly from restart or similar data using VMD, my scripts,
>> Does anymbody know something related to that ? NAMD list or documentation
>> is very "thin" on this.
>> With best
>> Arturas Z.
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