[gmx-developers] 4.6b1 cutoff-scheme=verlet + vdw/coulombtype=User

Berk Hess hess at kth.se
Wed Dec 5 14:26:11 CET 2012


User tables are not supported with the Verlet scheme in 4.6.
We plan to support this in 5.0.
What do you want to use the tables for?



On 12/05/2012 01:33 PM, Mirco Wahab wrote:
> The combination used for user-tabulated interactions:
>    *cutoff-scheme=verlet and vdwtype=User [coulombtype=User]*
> doesn't seem to work for now. Will such combinations work
> at some point in the future?
> Thanks & regards

More information about the gromacs.org_gmx-developers mailing list