AMBER Archive (2009)

Subject: Re: [AMBER] ptraj failure to parse psf input

From: Sasha Buzko (obuzko_at_ucla.edu)
Date: Thu Aug 13 2009 - 18:34:07 CDT


Hi Tom,
your fix worked. There are still zero box dimensions and 0 max frames,
but it doesn't seem to affect the results.

Thanks for your help

Sasha

Thomas Cheatham III wrote:
> Very simple fix. Edit ptraj.c; search for "PSF \n"
>
> change:
>
> if ( strcmp(buffer, "PSF \n") == 0 ||
> strncmp(buffer, "PSF ", 4) == 0 ) {
>
> to
>
> if ( strcmp(buffer, "PSF\n") == 0 ||
> strcmp(buffer, "PSF \n") == 0 ||
> strncmp(buffer, "PSF ", 4) == 0 ) {
>
> --tom
>
>
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