GROMACS version:2020.6
GROMACS modification: No
Here post your question :
Hello everyone,
I’m attempting to generate a topology file using Gromacs with the Drude force field, but I’ve encountered a critical issue. The error message I’m receiving is as follows:
Fatal error:
In the .rtp file in residue anisotropic_polarization at line:
DBR6 BR6 C6 C1 C5 1.80000000 0.60000000 0.6000000
Does anyone have a solution for resolving this problem?
thank you
You cannot use version 2020.6. None of the GROMACS official releases support Drude. Only the Drude branch of the the git repository has those features. I will warn you that at present it is not production-quality code and should not be used for science you intend to publish.
I appreciate your response greatly.
Are you familiar with any polarizable force fields compatible with GROMACS?
best regards.
Only trivial shell-type models that are quite old. GROMACS supports some basic features but they aren’t often used.