[gmx-users] help for use the gromacs analysis tools

bxiong bxiong at mail.shcnc.ac.cn
Wed Nov 27 16:11:17 CET 2002

Dear gromacs user:
about six months ago, I use the ego program simulate a protein. recently, I want to use the gromacs analysis tools to analyze the result.  I use the pdb2gmx transform  the ego.pdb(charmm 19 polar H) to *.gro and *.top to produce the *.tpr. then use the gromacs analysis tools(such as g_gyrate) to do something. But the g_gyrate crashed and print a error message:
     bus error (core dump)
I think it may due to the hydrogen in the *ego.pdb (charmm polar H) did not match the *.gro(gromacs parameter). 
can someone help me? thanks very much!!
        bxiong at mail.shcnc.ac.cn

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