[gmx-users] About The cut-off length is longer than half the shortest box vector or longer than the smallest box diagonal element
Poncho Arvayo Zatarain
poncho_8629 at hotmail.com
Wed Mar 16 20:02:20 CET 2016
Hello, due to one of my last question and about the error: The cut-off length is longer than half the shortest box vector or longer than the smallest box diagonal element. Increase the box size or decrease rlist. How can do large the box? My .gro files vectors are 8.90000 8.900000 and 7.900000 and my cutoff lenghts are: nstlist = 10 ; 10 fsrlist = 1.2 ; short-range neighborlist cutoff (in nm)rcoulomb = 1.2 ; short-range electrostatic cutoff (in nm)rvdw = 1.2 ; short-range van der Waals cutoff (in nm)vdwtype = cutoff
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