AMBER Archive (2004)

Subject: AMBER: MAXATOM failure in ANTECHAMBER

From: Cenk Andac (cenk_andac_at_yahoo.com)
Date: Fri Oct 08 2004 - 04:31:18 CDT

Hi,

I would like to assign atomic charges in sybyl format using ANTECHAMBER for a 16nt RNA hairpin. When I execute the following antechamber command

 

// antechamber -s 2 -i tar.pdb -fi pdb -o tar.mol2 -fo mol2 /

-at sybyl -c bcc -nc -15 -j 4

 

I keep getting this MAXATOM failure:

 

// The atom number exceeds the MAXATOM, reallocate memory

// Running: /home/jenk/amber8/exe/atomtype -i ANTECHAMBER_AC.AC0 /

-o ANTECHAMBER_AC.AC -p sybyl

// Cannot open file ANTECHAMBER_AC.AC, exit

 

I have 518 atoms in my RNA molecule. Could anyone out there let me know

please how to adjust MAXATOM size?

Regards,

Jenk Andac

Ph.D. Dissertator

University of Wisconsin-Madison WI

Faculty Candidate in Turkey

                
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