[gmx-users] None constraints and l-bfgs.
addiw7 at googlemail.com
Sun Aug 9 19:41:37 CEST 2015
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
I have done it on purpose so I just get familiar with other various cutoff
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