[gmx-users] Understanding of production run with same parameters in md.mdp file
Mark Abraham
Mark.Abraham at anu.edu.au
Thu May 29 11:25:45 CEST 2008
minnale wrote:
> Thanks for your prompt reply Florian,
> If I use grompp followed by mdrun commands instead of tpbconv with
> extend option in case of 1ns interval for 5ns simulation, will it show
> any difference?
It shouldn't, but there are more issues for the user to take care of, as
discussed on the URL Florian gave you.
Mark
More information about the gromacs.org_gmx-users
mailing list