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. Where is the buffer length of neighbour searching in > Gromacs?
If I understand your question correctly, you are inferring the need for a user-supplied buffer length from the usual practice in some other MD code. GROMACS uses dynamic memory allocation for constructing the neighbour lists, so there is no reason for the user to provide an arbitrary size, like one might have done in the days of FORTRAN77. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
