AMBER Archive (2002)

Subject: Amino acid unit "NHE" problem ?

From: S. Jang (sjang_at_networld.com)
Date: Thu Jan 17 2002 - 06:27:19 CST

I tried to construct peptide with leap with AMBER6. I want to use acetyl
beginning group(ACE) and amine ending group(NHE). According to the
manual "NHE" should work fine.
But it seems leap doesn't recognize "NHE" . Here is the message.
_____________________________________________________________________
protege[sjang] 1> tleap
-I: Adding /usr/local/amber6/dat to search path.
-I: Adding /usr/local/amber6/dat/leap/lib to search path.
-I: Adding /usr/local/amber6/dat/leap/cmd to search path.

Welcome to LEaP!
Sourcing leaprc: /usr/local/amber6/dat/leap/cmd/leaprc
Log file: ./leap.log
Loading parameters: /usr/local/amber6/dat/parm94.dat
Loading library: /usr/local/amber6/dat/leap/lib/all_nucleic94.lib
Loading library: /usr/local/amber6/dat/leap/lib/all_amino94.lib
Loading library: /usr/local/amber6/dat/leap/lib/all_aminoct94.lib
Loading library: /usr/local/amber6/dat/leap/lib/all_aminont94.lib
Loading library: /usr/local/amber6/dat/leap/lib/ions94.lib
Loading library: /usr/local/amber6/dat/leap/lib/water.lib
> test=Sequence{ ACE ALA ALA NHE }
sequence: Illegal UNIT named: NHE
>
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Any idea how to deal with this ?
Thank you.

Soon