[gmx-users] Invalid order for directive bondtypes
Atila Petrosian
atila.petrosian at gmail.com
Mon Oct 6 15:56:56 CEST 2014
Dear Mark
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
following links:
https://www.dropbox.com/s/ofyknhton3cmelp/figure.TIF?dl=0
https://www.dropbox.com/s/g71xgjolka9x0v4/figureII.TIF?dl=0
What is the reason of this state?
How to solve this problem?
More information about the gromacs.org_gmx-users
mailing list