Would you please send me your mainchain input and the molecule in either ac
or mol2 format? I will try to figure out the problem.
Best
Junmei
On Thu, Nov 30, 2017 at 10:36 AM, Markus Schneider <
markusg.schneider.wzw.tum.de> wrote:
> Hi all,
>
> when using prepgen, I found that segfaults and crashes occured for
> certain choices of mainchain files (-m inputs). In fact, prepgen
> reproducibly crashes for me whenever the mainchain path exceeds 32
> characters. The same setup runs fine for shorter file names. Other input
> files could have longer file names and not make a problem. I guess the
> offending line is found in prepgen.c:
>
> char mcfilename[30] = "MAINCHAIN.DAT";
>
> All other arrays which contain file names are initialized like
>
> char mc_filename[MAXCHAR];
>
> where MAXCHAR is defined as 2048.
>
> I suspect increasing the size of the mcfilename array to MAXCHAR would
> get rid of the crashes and save some time for others who run into the
> same issue. It would be great if someone could take a look at this.
> Version used was AmberTools16.
>
> Kind regards,
>
> Markus
>
>
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Received on Thu Nov 30 2017 - 08:00:03 PST
