[gmx-users] Gromacs Relative Free Energy Calculation Issue

[Hannes Loeffler]

On Wed, 5 Oct 2016 09:28:16 +0000
Guanglin Kuang <guanglin at kth.se> wrote:

> Dear Hannes,
> 
> Part I:
> ――――
> I have tried to use FESetup to generate the topology/coordinate files
> for the mutated ligands, but I met some problems.

Also, I do not recognize anything in your archive file that has been
produced by FESetup.