Dear Sajeewa Pemasinghe,
I do not know what means that error message; I just want to underline
that the tutorial to use the relax command within tleap is at:
http://q4md-forcefieldtools.org/Tutorial/leap-mol2.php
- first I would try "relax a" instead of "relax selection"
- then did you try to select an atom instead of a residue before
relaxing your selection?
i.e. I would try to better 'stick' to the tutorial ;-)
regards, Francois
> I have added protective groups ACE and NME to my protein. I want to relax
> them. My first residue in the protein is ACE.
>
> When I do
>
> a=loadpdb protein.pdb
> select a.1
> relax selection
>
> It gives me the error
>
> !FATAL ERROR----------------------------------------
> !FATAL: In file [list.c], line 437
> !FATAL: Message: llListLoop called with NULL list
> !
> !ABORTING.
>
> Could anybody please tell me why it says that it is a null list? Coz I know
> for sure residue number 1 is ACE.
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Received on Thu Nov 28 2013 - 22:00:03 PST
