Re: [gmx-users] Onw question about rlist rvdw rcoulomb and nstlist

2009-01-08 Thread Mark Abraham
xuji wrote: > Dear all gromacs users: > > Usually when we do neighbour searching we should give three parameters: > cut-off distance, buffer length and > the frequency of the neighbour list updating. But in Gromacs *.mdp file it's > just required to give rlist,nstlist, > rvdw and rcoumlomb. Wh

[gmx-users] Onw question about rlist rvdw rcoulomb and nstlist

2009-01-08 Thread xuji
Dear all gromacs users: Usually when we do neighbour searching we should give three parameters: cut-off distance, buffer length and the frequency of the neighbour list updating. But in Gromacs *.mdp file it's just required to give rlist,nstlist, rvdw and rcoumlomb. Where is the buffer length o