[gmx-users] Implicit Solvent with User Defined Potentials

[David van der Spoel]

Den 2019-05-08 kl. 16:21, skrev Akash Banerjee:
> Dear Gromacs Developer,
> 
> I want to use the implicit solvent (gbsa algorithm) along with User-defined
> tabulated potentials. Apparently, the implicit solvent option is not
> compatible with the vdw-type=USer option. Can I please get some advice on
> this?
> 
> Thank you for your help.
> 
> Kind regards,
> Akash
> 
GB has been removed from GROMACS and if old versions do not have this 
option it seems you are out of luck.

-- 
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
http://www.icm.uu.se