[gmx-users] ERROR 1 [file lig.prm, line 49] - Can I use the the mdp files -> em.mdp followed by em_real.mdp used for Gromacs 5.1.4?
Adarsh V. K.
adarsh_p130085bt at nitc.ac.in
Mon Mar 9 06:56:47 CET 2020
Dear all,
How to solve this error ?
gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr -maxwarn 1
The command returns following errors while using " ions.mdp "
-----------------------------------------------------
NOTE 1 [file ions.mdp]
ERROR 1 [file lig.prm, line 49]:
Encountered a second block of parameters for dihedral type 9 for the same
atoms, with either different parameters and/or the first block has
multiple lines. This is not supported.
-----------------------------------------------------
Can I use the the mdp files used in Gromacs 5.1.4?
em.mdp followed by em_real.mdp?
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