AMBER Archive (2002)

Subject: leap:segmentation fault

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Tue Feb 26 2002 - 10:30:45 CST

Hello,
        I am using tleap and xleap to construct a new molecule. I am using
a PDB to generate the .lib file, then I found it needs some bond angle
parameter. Upon adding that in the corresponding force feild data file, it
gives only one warning upon checking the unit (in xleap), that is about
total charge on the molecule. The molecule 'looks' correctly connected
in xleap graphic window.

        The moment I try reading the very PDB that I supplied to make the
.lib file, tleap/xleap crashes with segmentaion fault. Can someone suggest
me a way out of this please?

Thanks very much in advance.

-Sanjeev