I am using gromacs that was compiled with internal lmfit, but the lmfit does not work.
I am doing some exponential fitting with the gmx analyze with the -fitfn option and this is the error I am getting:
“This build of GROMACS was not configured with support for lmfit, so therequested fitting cannot be performed. See the install guide for instructions on how to build GROMACS with lmfit supported.”
I tried both gmx2019.2 and gmx2019.6
Any suggestions on how to fix this issue will be appreciated.