Hi David,
I don't know if this is the case for other compilers, but this change in
respgen.c makes it work with gcc 4.8:
412,413d411
< if (times == nconf)
< fprintf(fpout, "\n");
It could also be that resp is not parsing things properly....
Best regards and happy new year,
El dom., 30 dic. 2018 a las 15:09, David Case (<david.case.rutgers.edu>)
escribió:
> On Sun, Dec 23, 2018, Stephan Schott wrote:
>
> >I have been playing around with multiconformational RESP fitting, ....
> >
> >I checked differences between the respin file generated with respgen for
> >fixed charges and for resp2, and there is a space lacking between the
> >molecule and the multiconformation definitions (which makes sense with gcc
> >compilers). Adding a space by hand works like a charm. Is this something
> >known?
>
> I don't think it is known....do you have a proposed code fix? (Not
> necessary: just trying to save time in case you do....)
>
> ...thanks for the report....dac
>
>
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--
Stephan Schott Verdugo
Biochemist
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
Germany
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Received on Sun Dec 30 2018 - 17:00:02 PST
