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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Received on Fri Oct 08 2004 - 10:53:00 PDT
