Dear Sir,
Excluding water molecules, my molecule contents 800 atoms, but I have to make .frcmod file for both including and excluding water.
regards,Souvik
> Date: Tue, 6 Aug 2013 07:53:31 -0400
> From: case.biomaps.rutgers.edu
> To: amber.ambermd.org
> Subject: Re: [AMBER] Segmentation Fault
>
> 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 - 06:30:03 PDT
