2015-08-09 18:25 GMT+01:00 Justin Lemkul <[email protected]>: > 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. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
