[gmx-users] tabscale=0

Lianqing Zheng lzheng at me.rochester.edu
Fri Apr 11 01:14:00 CEST 2003


Dear Gromacs pals:

I'm trying to simulate a silica (SiO2) system with 1536 atoms and initial
configuration of beta-cristobalite. However I got an error of arithmetic
exception before the first step was completed. The reason was found to the
zero value of "tabscale" in init_table() in tables.c:

	td->x[i] = i/tabscale;

I don't understand what is this table for. Could you please help me with
this? I can email you any files I used if you need them.

Thanks!!

Lianqing




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