VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Thu Feb 12 2015 - 03:53:34 CST

also try changing the name of your file to

IL219_Mixed_eq.xsc

instead of IL219-Mixed_eq.xsc

other than these two things - there "APPEARS" to be nothing wrong with the
way you are using this, it should work.

On Thu, Feb 12, 2015 at 10:49 PM, Ashar Malik <asharjm_at_gmail.com> wrote:

> i dont understand why you are using this:
>
> (-vdw || -elec || -nonb)
>
> just
>
> -nonb
>
> will give you the vdw as well as the elec between the two selections.
>
> On Thu, Feb 12, 2015 at 10:15 PM, Viswanath Pasumarthi <
> v.pasumarthi_at_iitg.ernet.in> wrote:
>
>> > please attach your script file directly -- instead of copying --- please
>> > send here instead of drop box, cause I cant see them there -- just the
>> > original script you use where you have the namdenergy plugin being
>> called.
>>
>> IntEnergy.tcl - where namdenergy plugin is being called
>> This script is being run after loading the psf and dcd files.
>>
>> >
>> > On Thu, Feb 12, 2015 at 10:00 PM, Ashar Malik <asharjm_at_gmail.com>
>> wrote:
>> >
>> >>
>> >> ​Ok now we are on the same page and agree what the error is -- let me
>> >> look
>> >> at your scripts --
>> >>
>> >>
>> >>
>> >> --
>> >> Best,
>> >> /A
>> >>
>> >
>> >
>> >
>> > --
>> > Best,
>> > /A
>> >
>>
>
>
>
> --
> Best,
> /A
> 

-- 
Best,
/A