[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
bxiong at mail.shcnc.ac.cn
2002-11-27
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