[gmx-users] Van der waals types
tomyvanbatis at gmail.com
Wed Apr 11 11:35:31 CEST 2012
I am looking in the manual but I don't understand...
When using *vdw-type =cut-off* in the .mdp file, is the LJ potential only
truncated in the cut-off distance rc, or is it also shifted in order to
avoid discontinuity when rij=rc ?
If no, how can I have a shifted and truncated LJ potential?
Thanks in advance
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