GROMACS version: 2020.7
GROMACS modification: No
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Hello everyone
I’m trying to run a MD simulation in acetonitrile as solvent but when I execute gmx-solvate command, solvent molecules break apart making the number of atoms in .gro and .top files different from one another. Does anyone know how this issue can be addressed? I appreciate any help in advance.
- I have downloaded acetonitrile solvent box from virtualchemistry.org
- The force field I’m using is OPLS.