On Tue, Aug 06, 2013, Souvik Sur wrote:
> I am trying to make .frcmod file from my .prepin file using the command
> parmchk -i qd_ali.prepin -f prepi -o qd_ali.frcmod in AMBER 10, but got
> an error like:
> Info: the atom number exceeds the MAXATOM, reallocate memory automatically
> ...repeatedly until a segfault.
How many atoms are in your prepin file? Antechamber is designed for small
organic molecules (say molecular weight less than 1000).
...dac
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Received on Tue Aug 06 2013 - 05:00:04 PDT
