Re: [AMBER] ptraj failure to parse psf input

From: Sasha Buzko <obuzko.ucla.edu>
Date: Fri, 14 Aug 2009 00:34:07 +0100

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
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 19 2009 - 22:26:32 PDT
Custom Search