[gmx-users] Invalid order for directive bondtypes
atila.petrosian at gmail.com
Mon Oct 6 15:56:56 CEST 2014
Very thanks for you reply.
I solved previous problem by swapping the order of my #include statements
in forcefield.itp file.
I used grompp for energy minimization, I obtained em.tpr file without any
problem. Then I used mdrun for energy minimization, this step was done
without error, but, when I see gro file obtained from minimization using
VMD, there is unusual state. Those figures related to this state are in
What is the reason of this state?
How to solve this problem?
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