[gmx-users] error on version3.3-rc3
wangzhun at pumc.edu.cn
Sat Oct 8 12:13:06 CEST 2005
I've installed version3.3-rc3.
When I entered pdb2gmx, a prompt says:
Opening library file /usr/local/gromacs/share/top/ffencads.hdb
Opening library file /usr/local/gromacs/share/top/ffencads-n.tdb
Fatal error: Reading Termini Database: expected 4 items of atom data in stead of 3 on line
M3 14.0067 -0.71
When I entered grompp, a prompt says:
Fatal error: Bond atom type names can't be single digits.
But editconf.genbox and mdrun all work properly.
What are the differences between version3.2.1 which I used and version 3.3 and how should I solve these 2 problems?
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