[gmx-users] Two questions: LAMMPS to gromacs, Test particle insertion

Arun Srikanth askforarun at gmail.com
Tue Nov 21 16:26:35 CET 2017

Hello all,

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.

Thank you

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