[gmx-users] Problem in running grompp
richard at pooh.phy.ncu.edu.tw
Wed Oct 13 04:16:06 CEST 2004
Hello Gromacs users,
I got a little problem when I was running grmopp. I set up constraints: h-angle or all angles and constraint algorithm: shake
in .mdp file. Rest of parameters are default value and I use Lysozyme as my testing protein. Then I start running grmopp. Yet
program freeze after showing message " Generated 279 of the 1225 non-bonded parameter combination........
......tunring all bonds and H angles into constraints......"
FYI, computer didnot freeze due to this, everything still works fine. After I check, it seems that grompp still running......
Could anybody enlighten my to resolve this problem?? Thanks!!
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