Re: [AMBER] Segmentation Fault

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 6 Aug 2013 07:53:31 -0400

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
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