AMBER Archive (2009)

Subject: [AMBER] ptraj, CHARMM PSF and CMAP

From: Hannes Loeffler (hannes.loeffler_at_stfc.ac.uk)
Date: Wed Jan 14 2009 - 03:45:07 CST

Hello,
        
I just found that ptraj 9/10 cannot handle CHARMM PSF files containing
the header "PSF CMAP". Looking at the code I see that ptraj expects
either "PSF\n", "PSF \n" or "PSF CMAP CHEQ\n". The PSF file I have was
generated with psfgen.

Hannes.
        

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber