[gmx-users] Two questions: LAMMPS to gromacs, Test particle insertion
askforarun at gmail.com
Tue Nov 21 16:26:35 CET 2017
I have two questions.
1. Is there a tool to convert LAMMPS data file to gromacs topology file. I
am using GAFF forcefield.
Test particle insertion:
In the manual it is mentioned that "This trajectory should not contain the
molecule to be inserted."
If I want to estimate excess chemical potential in a system with 2 wt%
water, how should we do it since the trajectory would contain water.
Any help is appreciated.
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