AMBER Archive (2007)

Subject: AMBER: Problem while creating input files in antechamber

From: Anju Sharma (anju.020384_at_gmail.com)
Date: Tue Jul 31 2007 - 00:33:12 CDT

Hello Sir,

While creating input files in antechamber, as directed by you, i encountered
folllowing problem, where i am wrong? Hereby i am attaching Pdb file of the
drug molexcule for your kind consideration.
----------------------------------------------------------------------------------------------------------------------------------------
[root_at_amber exe]# /usr/local/amber8/exe/antechamber -i
/usr/local/try/mtx2.pdb -fi pdb -o /usr/local/try/mtx2.prepin -fo prepi -c
bcc -s 2

 Unrecognized atomic name M1, exit
 Unrecognized atomic name M2, exit
 Unrecognized atomic name M3, exit
 Unrecognized atomic name 4 M, exit
 Unrecognized atomic name 5 M, exit
 Unrecognized atomic name 6 M, exit

Unrecognized atomic name 56 M, exit
 Unrecognized atomic name 57 M, exit
 Unrecognized atomic name 58 M, exit
 Unrecognized atomic name 59 M, exit

Running: /usr/local/amber8/exe/atomtype -i ANTECHAMBER_AC.AC0 -o
ANTECHAMBER_AC.AC -p gaff

Total number of electrons: 0; net charge: 0

Running: /usr/local/amber8/exe/divcon
Unable to find mopac charges in divcon.out
 Unrecognized atomic name 60 M, exit[root_at_amber exe]#
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-- 
Anju Sharma
Project Fellow,
NIT, Hamirpur (H.P.)
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