On 11/02/2012 12:52 AM, Elisabeth wrote:
Hello all,
Does the shift function use group based truncation?
See the discussion of charge groups in manual section 3.4.2.
In the manual I see: by using shifted forces there is no need for
charge groups (=group based?!) in the neighbor list?
Can anyone shed some light on calculation of shifted forces?
What's not clear from the above and 4.1.5?
Mark
Thanks,
Eli
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
