Dear Sir,
I want to creates .prepin and frcmod files for modified nucleosides by using
antechamber, for that i have taken sybylmol2 file as input for antechamber,
but it gives error as follows:
$ antechamber -i wym.mol2 -fi mol2 -o wym.prepin -fo prepi -c bcc -s 2
The atom number exceeds the MAXATOM, reallocate memoryRunning:
/usr/local/amber10/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac
Info: the atom number exceeds the MAXATOM, reallocate memory automatically
Running: /usr/local/amber10/bin/atomtype -i ANTECHAMBER_AC.AC0 -o
ANTECHAMBER_AC.AC -p gaff
Info: the atom number exceeds the MAXATOM, reallocate memory automatically
Total number of electrons: 1383; net charge: 0
INFO: Number of electrons is odd: 1383
Please check the total charge (-nc flag) and spin multiplicity (-m
flag)
Running: /usr/local/amber10/bin/mopac.sh
Error: unable to find mopac charges in mopac.out
So please give me any suggeastion for that.
Thanks you
Navanath Kumbhar
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Received on Thu Jun 10 2010 - 08:00:03 PDT
