Dear Amber users,
I am using AmberTools 1.5 to generate the .mol2
file for a system containing 5040 atoms. But the generation of the .mol2 is
failing with an error (given below)
The atom number exceeds the MAXATOM, reallocate memory
Running: /home/chidambar/softwares/amber11/bin/atomtype -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff
Info: the atom number exceeds the MAXATOM, reallocate memory automatically
Can anyone tell me how to reallocate the memory and end up with the .mol2
file? Thanks in advance
with regards,
--
Chidambar k
Int.PhD
JNCASR
Bangalore
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Received on Wed Dec 14 2011 - 10:30:03 PST
