About the error of "Tcl interface"

From: wang (c00jsw00_at_nchc.org.tw)
Date: Wed Jul 05 2006 - 21:05:27 CDT

Dear all ,
I used the amber parameter and a pdb structure to run SMD . But
something is wrong in "TCL interface " .
The setting and error message are shown below . Could you tell me how to
fix it ?
Thx
Wang

The setting
___________________________________________

1.smd.tcl file
set id1 [atomid K 1 N]
set grp1 {}
lappend grp1 $id1
set a1 [addgroup $grp1]
.....
2.PDB file
REMARK
ATOM 1 N ALA 1 35.293 20.483 21.672 0.00 0.00 K
ATOM 2 H1 ALA 1 36.038 19.955 22.106 0.00 0.00 K
ATOM 3 H2 ALA 1 34.535 20.775 22.271 0.00 0.00 K
ATOM 4 H3 ALA 1 35.707 21.343 21.341 0.00 0.00 K
ATOM 5 CA ALA 1 34.762 19.654 20.556 0.00 0.00 K
ATOM 6 HA ALA 1 35.612 19.179 20.068 0.00 0.00 K
ATOM 7 CB ALA 1 33.810 18.550 21.090 0.00 0.00 K
ATOM 8 1HB ALA 1 34.233 17.995 21.930 0.00 0.00 K
....

error
_____________________________________________________________
Info: ABSOLUTE IMPRECISION IN VDWB TABLE FORCE: 3.87741e-026 AT 11.9138
Info: RELATIVE IMPRECISION IN VDWB TABLE FORCE: 5.97409e-016 AT 11.9138
TCL: atom not found
FATAL ERROR: atom not found
while executing
"atomid K 1 N"
invoked from within
"set id1 [atomid K 1 N]"
(file "smd.tcl" line 7)
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: atom not found
while executing
"atomid K 1 N"
invoked from within
"set id1 [atomid K 1 N]"
(file "smd.tcl" line 7)

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