[gmx-users] top2psf.pl is generating some bonds to atoms with index 0.

Kwee Hong jestan1985 at yahoo.com
Tue Oct 19 19:59:27 CEST 2010


I've got a top2psf.pl script from the web and used it to generate a psf file. 
Yet it generated  some bonds to atoms with index 0 which should not occur.  It 
causes VMD cannot load it and had a segmentation fault.  

vmd > Info) Using plugin psf for structure file /home/birg/Desktop/zz.psf
ERROR) Error reading bond information.
Segmentation fault

I wonder am I getting the right top2psf.pl.  Or is there any place I can get the 
latest stable version of that script? 

Here, I attached the perl script I used.



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