[gmx-users] None constraints and l-bfgs.

[Dawid das]

2015-08-09 18:25 GMT+01:00 Justin Lemkul <jalemkul at vt.edu>:

> Are you using some old version?  Note that your cutoff setup is wrong for
> CHARMM force fields.


Well, to be honest I do use quite and old version which is 4.6.7.
Yes I am aware of that I use wrong CHARMM force field cutoff setup and
values.
I have done it on purpose so I just get familiar with other various cutoff
schemes.