Hi amber users,
I want to build a unit using two residues. These residues are connected by
two atoms.
After modifying the unit in LEaP, I want to get its prep file. For that, I
have used the following command:
saveamberprep <unit_name> <prep_file>
For example: saveamberprep SPA SPA.prep
The program works and it creates a prep file called SPA.prep which only
contains the following dates:
0 0 0
STOP
In the LEaP editor, I can read that I need to define the ATOM that is used
in making links to other RESIDUE.
What I am doing now is to try to connect both residues using the following
command:
set <residue_name> connect0 <atom type>
For example:
set SPA connect0 C12
However, LEaP says that exists a syntaxis error.
What should I do to solve that problem I have? Any suggestions will be
welcome.
Thanks in advance
Javier
******************************
Javier Perez
Teaching assistant
Chemistry Department
Universitat Autonoma de Barcelona
08193 Bellaterra (Barcelona)
SPAIN
e-mail: javier.perez.uab.es
********************************
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Apr 23 2006 - 06:07:09 PDT
